1-cyclohexyl-3-[4-[4-(cyclohexylcarbamothioylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[4-[4-(cyclohexylcarbamothioylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]thiourea Openeye Name: 1-cyclohexyl-3-[4-[4-(cyclohexylcarbamothioylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]thiourea CAS Name: 1-cyclohexyl-3-[4-[4-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-3-methoxyphenyl]-2-methoxyphenyl]thiourea IUPAC Name: 1-cyclohexyl-3-[4-[4-(cyclohexylcarbamothioylamino)-3-methoxyphenyl]-2-methoxyphenyl]thiourea Traditional Name: 1-cyclohexyl-3-[4-[4-(cyclohexylthiocarbamoylamino)-3-methoxy-phenyl]-2-methoxy-phenyl]thiourea Formula: C28H38N4O2S2 MolecularWeight: 526.75692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NC3CCCCC3)OC)NC(=S)NC4CCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=S)NC3CCCCC3)OC)NC(=S)NC4CCCCC4

InChI

InChI=1S/C28H38N4O2S2/c1-33-25-17-19(13-15-23(25)31-27(35)29-21-9-5-3-6-10-21)20-14-16-24(26(18-20)34-2)32-28(36)30-22-11-7-4-8-12-22/h13-18,21-22H,3-12H2,1-2H3,(H2,29,31,35)(H2,30,32,36)