[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate

Systemtic Name: [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: 1-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl 2-methyl-1-oxo-4-(p-tolyl)isoquinoline-3-carboxylate CAS Name: 2-methyl-4-(4-methylphenyl)-1-oxo-3-isoquinolinecarboxylic acid [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid 1-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NN=C(S1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

Isomeric SMILES

CCC(C(=O)NC1=NN=C(S1)C)OC(=O)C2=C(C3=CC=CC=C3C(=O)N2C)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H24N4O4S/c1-5-19(22(30)26-25-28-27-15(3)34-25)33-24(32)21-20(16-12-10-14(2)11-13-16)17-8-6-7-9-18(17)23(31)29(21)4/h6-13,19H,5H2,1-4H3,(H,26,28,30)