1-[(2-pyrrol-1-ylphenyl)carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea

Systemtic Name: 1-[(2-pyrrol-1-ylphenyl)carbonylamino]-3-(3,4,5-trimethoxyphenyl)thiourea Openeye Name: 1-[(2-pyrrol-1-ylbenzoyl)amino]-3-(3,4,5-trimethoxyphenyl)thiourea CAS Name: 1-[[oxo-[2-(1-pyrrolyl)phenyl]methyl]amino]-3-(3,4,5-trimethoxyphenyl)thiourea IUPAC Name: 1-[(2-pyrrol-1-ylbenzoyl)amino]-3-(3,4,5-trimethoxyphenyl)thiourea Traditional Name: 1-[(2-pyrrol-1-ylbenzoyl)amino]-3-(3,4,5-trimethoxyphenyl)thiourea Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)C2=CC=CC=C2N3C=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=S)NNC(=O)C2=CC=CC=C2N3C=CC=C3

InChI

InChI=1S/C21H22N4O4S/c1-27-17-12-14(13-18(28-2)19(17)29-3)22-21(30)24-23-20(26)15-8-4-5-9-16(15)25-10-6-7-11-25/h4-13H,1-3H3,(H,23,26)(H2,22,24,30)