1-azanyl-3-[2-(4-chlorophenyl)carbonylphenyl]-1-[(3,4-dimethoxyphenyl)methyl]thiourea

Systemtic Name: 1-azanyl-3-[2-(4-chlorophenyl)carbonylphenyl]-1-[(3,4-dimethoxyphenyl)methyl]thiourea Openeye Name: 1-amino-3-[2-(4-chlorobenzoyl)phenyl]-1-[(3,4-dimethoxyphenyl)methyl]thiourea CAS Name: 1-amino-3-[2-[(4-chlorophenyl)-oxomethyl]phenyl]-1-[(3,4-dimethoxyphenyl)methyl]thiourea IUPAC Name: 1-amino-3-[2-(4-chlorobenzoyl)phenyl]-1-[(3,4-dimethoxyphenyl)methyl]thiourea Traditional Name: 1-amino-3-[2-(4-chlorobenzoyl)phenyl]-1-veratryl-thiourea Formula: C23H22ClN3O3S MolecularWeight: 455.95708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(C(=S)NC2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C(=S)NC2=CC=CC=C2C(=O)C3=CC=C(C=C3)Cl)N)OC

InChI

InChI=1S/C23H22ClN3O3S/c1-29-20-12-7-15(13-21(20)30-2)14-27(25)23(31)26-19-6-4-3-5-18(19)22(28)16-8-10-17(24)11-9-16/h3-13H,14,25H2,1-2H3,(H,26,31)