[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanylidene-propan-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-propan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxidanylidene-isoquinoline-3-carboxylate Openeye Name: [1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl] 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-oxopropan-2-yl] ester IUPAC Name: [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl] 2-methyl-4-(4-methylphenyl)-1-oxoisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-(p-tolyl)isoquinoline-3-carboxylic acid [2-keto-1-methyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl] ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NN=C(S4)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(C(=O)C3=CC=CC=C32)C)C(=O)OC(C)C(=O)NC4=NN=C(S4)C

InChI

InChI=1S/C24H22N4O4S/c1-13-9-11-16(12-10-13)19-17-7-5-6-8-18(17)22(30)28(4)20(19)23(31)32-14(2)21(29)25-24-27-26-15(3)33-24/h5-12,14H,1-4H3,(H,25,27,29)