HMDB0259881 RDKit 3D N-[2,6-Bis(1-methylethyl)phenyl]-N'-[4-[(4-nitrophenyl)thio]phenyl]urea 59 61 0 0 0 0 0 0 0 0999 V2000 -3.6554 -1.6247 -3.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9970 -1.4085 -2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -0.6619 -2.8251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9246 -0.6415 -1.6703 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0525 -0.0779 -2.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9550 0.6558 -1.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7014 0.8244 -0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5809 0.2711 0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 0.4652 1.9144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4408 1.3049 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3671 -0.8832 2.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7047 -0.4592 -0.3349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5708 -1.0006 0.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3359 -0.2695 0.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3175 0.8850 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 -0.8469 1.1244 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9966 -0.2370 1.3521 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 -0.9283 2.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1627 -0.3929 2.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5396 0.8173 1.8991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1361 1.4854 2.2408 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3632 0.9827 1.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6078 1.7179 -0.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5580 1.3200 -1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3056 0.1769 -0.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2751 -0.2143 -1.8031 N 0 0 0 0 0 4 0 0 0 0 0 0 9.9727 -1.2370 -1.6895 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4578 0.5698 -2.9110 O 0 0 0 0 0 1 0 0 0 0 0 0 8.0684 -0.5699 0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1176 -0.1670 1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6534 1.5031 1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4114 0.9695 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6426 -0.6675 -4.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6485 -2.0568 -3.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0068 -2.3455 -4.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7123 -2.3741 -2.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -0.8189 -3.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9045 -1.1154 -2.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 0.4065 -2.6177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2593 -0.1966 -3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8359 1.0907 -1.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3997 1.3979 0.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3454 0.9578 2.0039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4894 2.3119 2.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2477 1.3757 3.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3915 0.7445 2.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8719 -0.7690 3.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3105 -1.1661 2.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8788 -1.6124 1.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6567 -1.9845 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -1.8456 1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 -1.8738 2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8384 -0.9775 3.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0151 2.6252 -0.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7223 1.9258 -1.9097 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6598 -1.4639 0.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9363 -0.7585 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 2.4775 0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7567 1.5497 0.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 8 12 2 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 26 28 1 0 25 29 1 0 29 30 2 0 20 31 1 0 31 32 2 0 12 4 1 0 32 17 1 0 30 22 1 0 1 33 1 0 1 34 1 0 1 35 1 0 2 36 1 0 3 37 1 0 3 38 1 0 3 39 1 0 5 40 1 0 6 41 1 0 7 42 1 0 9 43 1 0 10 44 1 0 10 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 11 49 1 0 13 50 1 0 16 51 1 0 18 52 1 0 19 53 1 0 23 54 1 0 24 55 1 0 29 56 1 0 30 57 1 0 31 58 1 0 32 59 1 0 M CHG 2 26 1 28 -1 M END