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

Systemtic Name: [1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(4-phenylthiazol-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-oxo-1-[(4-phenyl-2-thiazolyl)amino]butan-2-yl] ester IUPAC Name: [1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]butan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(4-phenylthiazol-2-yl)carbamoyl]propyl ester Formula: C30H25N3O4S MolecularWeight: 523.6022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)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)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C30H25N3O4S/c1-3-24(27(34)32-30-31-23(18-38-30)19-12-6-4-7-13-19)37-29(36)26-25(20-14-8-5-9-15-20)21-16-10-11-17-22(21)28(35)33(26)2/h4-18,24H,3H2,1-2H3,(H,31,32,34)