1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[4-(1-azepanylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[4-(azepan-1-ylsulfonyl)phenyl]-3-homoveratryl-thiourea Formula: C23H31N3O4S2 MolecularWeight: 477.63994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H31N3O4S2/c1-29-21-12-7-18(17-22(21)30-2)13-14-24-23(31)25-19-8-10-20(11-9-19)32(27,28)26-15-5-3-4-6-16-26/h7-12,17H,3-6,13-16H2,1-2H3,(H2,24,25,31)