1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrrol-1-ylphenyl)carbonylamino]thiourea

Systemtic Name: 1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrrol-1-ylphenyl)carbonylamino]thiourea Openeye Name: 1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea CAS Name: 1-(2-methoxy-4-nitrophenyl)-3-[[oxo-[4-(1-pyrrolyl)phenyl]methyl]amino]thiourea IUPAC Name: 1-(2-methoxy-4-nitrophenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea Traditional Name: 1-(2-methoxy-4-nitro-phenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]thiourea Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C19H17N5O4S/c1-28-17-12-15(24(26)27)8-9-16(17)20-19(29)22-21-18(25)13-4-6-14(7-5-13)23-10-2-3-11-23/h2-12H,1H3,(H,21,25)(H2,20,22,29)