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

Systemtic Name: [1-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[[4-(2-naphthyl)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-(2-naphthalenyl)-2-thiazolyl]amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(4-naphthalen-2-yl-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-(2-naphthyl)thiazol-2-yl]carbamoyl]propyl ester Formula: C34H27N3O4S MolecularWeight: 573.66088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2)OC(=O)C4=C(C5=CC=CC=C5C(=O)N4C)C6=CC=CC=C6

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C2=CC3=CC=CC=C3C=C2)OC(=O)C4=C(C5=CC=CC=C5C(=O)N4C)C6=CC=CC=C6

InChI

InChI=1S/C34H27N3O4S/c1-3-28(31(38)36-34-35-27(20-42-34)24-18-17-21-11-7-8-14-23(21)19-24)41-33(40)30-29(22-12-5-4-6-13-22)25-15-9-10-16-26(25)32(39)37(30)2/h4-20,28H,3H2,1-2H3,(H,35,36,38)