1-cyclohexyl-3-[1-(3,4-dimethoxyphenyl)ethyl]thiourea

Properties Image MNX_ID MNXM344707 reference chebi:105446 formula C17H26N2O2S global charge 0 mol weight 322.474 InChIKey WQIFQWLLUTYTOX-UHFFFAOYSA-N InChI InChI=1S/C17H26N2O2S/c1-12(13-9-10-15(20-2)16(11-13)21-3)18-17(22)19-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H2,18,19,22) SMILES COC1=C(OC)C=C(C(C)NC(=S)NC2CCCCC2)C=C1 MNX internals InChI (mnx) InChI=1/C17H26N2O2S/c1-12(13-9-10-15(20-2)16(11-13)21-3)18-17(22)19-14-7-5-4-6-8-14/h9-12,14H,4-8H2,1-3H3,(H2,18,19,22)/t12? SMILES (mnx) [CH3:1][CH:12]([C:13]1=[CH:11][C:16]([O:21][CH3:3])=[C:15]([O:20][CH3:2])[CH:10]=[CH:9]1)[N:18]=[C:17]([NH:19][CH:14]1[CH2:7][CH2:5][CH2:4][CH2:6][CH2:8]1)[SH:22]

Parent-child relations graph

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