1-[[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-[[2-(2,4-dichlorophenyl)quinolin-4-yl]carbonylamino]-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-[[[2-(2,4-dichlorophenyl)-4-quinolinyl]-oxomethyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-[[2-(2,4-dichlorophenyl)quinoline-4-carbonyl]amino]-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C24H17Cl2N5O4S MolecularWeight: 542.39388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H17Cl2N5O4S/c1-35-22-11-14(31(33)34)7-9-20(22)28-24(36)30-29-23(32)17-12-21(16-8-6-13(25)10-18(16)26)27-19-5-3-2-4-15(17)19/h2-12H,1H3,(H,29,32)(H2,28,30,36)