1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-pyrrol-1-ylphenyl)carbonylamino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea Traditional Name: 1-homoveratryl-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3)OC

InChI

InChI=1S/C22H24N4O3S/c1-28-19-10-5-16(15-20(19)29-2)11-12-23-22(30)25-24-21(27)17-6-8-18(9-7-17)26-13-3-4-14-26/h3-10,13-15H,11-12H2,1-2H3,(H,24,27)(H2,23,25,30)