ethyl 1-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(4-oxo-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-keto-2-thioxo-1H-quinazolin-3-yl)methyl]cyclohexanecarbonyl]isonipecotic acid ethyl ester Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H31N3O4S/c1-2-31-23(30)18-11-13-26(14-12-18)21(28)17-9-7-16(8-10-17)15-27-22(29)19-5-3-4-6-20(19)25-24(27)32/h3-6,16-18H,2,7-15H2,1H3,(H,25,32)