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

Systemtic Name: [1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 4-(4-chlorophenyl)-2-methyl-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(4-methylthiazol-2-yl)carbamoyl]propyl 4-(4-chlorophenyl)-2-methyl-1-oxo-isoquinoline-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-methyl-1-oxo-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] 4-(4-chlorophenyl)-2-methyl-1-oxoisoquinoline-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-1-keto-2-methyl-isoquinoline-3-carboxylic acid 1-[(4-methylthiazol-2-yl)carbamoyl]propyl ester Formula: C25H22ClN3O4S MolecularWeight: 495.97788

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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=C(C=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O4S/c1-4-19(22(30)28-25-27-14(2)13-34-25)33-24(32)21-20(15-9-11-16(26)12-10-15)17-7-5-6-8-18(17)23(31)29(21)3/h5-13,19H,4H2,1-3H3,(H,27,28,30)