[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[[4-(3-nitrophenyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C30H24N4O6S MolecularWeight: 568.59976

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C30H24N4O6S/c1-3-24(27(35)32-30-31-23(17-41-30)19-12-9-13-20(16-19)34(38)39)40-29(37)26-25(18-10-5-4-6-11-18)21-14-7-8-15-22(21)28(36)33(26)2/h4-17,24H,3H2,1-2H3,(H,31,32,35)