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

Systemtic Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(4-methylthiazol-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-methyl-2-thiazolyl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(4-methyl-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-methylthiazol-2-yl)carbamoyl]propyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=CS1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NC(=CS1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=CC=C4

InChI

InChI=1S/C25H23N3O4S/c1-4-19(22(29)27-25-26-15(2)14-33-25)32-24(31)21-20(16-10-6-5-7-11-16)17-12-8-9-13-18(17)23(30)28(21)3/h5-14,19H,4H2,1-3H3,(H,26,27,29)