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

Systemtic Name: [1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(5-methyl-1,3,4-thiadiazol-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-[(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-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]propyl ester Formula: C24H22N4O4S MolecularWeight: 462.52088

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O4S/c1-4-18(21(29)25-24-27-26-14(2)33-24)32-23(31)20-19(15-10-6-5-7-11-15)16-12-8-9-13-17(16)22(30)28(20)3/h5-13,18H,4H2,1-3H3,(H,25,27,29)