1-[4-[[4-[[(2-methoxyanilino)-sulfanylidenemethyl]amino]cyclohexyl]methyl]cyclohexyl]-3-(2-methoxyphenyl)thiourea

Properties Image MNX_ID MNXM341088 reference chebi:111303 formula C29H40N4O2S2 global charge 0 mol weight 540.799 InChIKey TUXSPMWDBJLFSE-UHFFFAOYSA-N InChI InChI=1S/C29H40N4O2S2/c1-34-26-9-5-3-7-24(26)32-28(36)30-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)31-29(37)33-25-8-4-6-10-27(25)35-2/h3-10,20-23H,11-19H2,1-2H3,(H2,30,32,36)(H2,31,33,37) SMILES COC1=CC=CC=C1NC(=S)NC1CCC(CC2CCC(NC(=S)NC3=CC=CC=C3OC)CC2)CC1 MNX internals InChI (mnx) InChI=1/C29H40N4O2S2/c1-34-26-9-5-3-7-24(26)32-28(36)30-22-15-11-20(12-16-22)19-21-13-17-23(18-14-21)31-29(37)33-25-8-4-6-10-27(25)35-2/h3-10,20-23H,11-19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)/t20?,21?,22?,23? SMILES (mnx) [CH3:1][O:34][C:26]1=[CH:9][CH:5]=[CH:3][CH:7]=[C:24]1[NH:32][C:28](=[N:30][CH:22]1[CH2:15][CH2:11][CH:20]([CH2:19][CH:21]2[CH2:13][CH2:17][CH:23]([N:31]=[C:29]([NH:33][C:25]3=[CH:8][CH:4]=[CH:6][CH:10]=[C:27]3[O:35][CH3:2])[SH:37])[CH2:18][CH2:14]2)[CH2:12][CH2:16]1)[SH:36]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0