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

Systemtic Name: ethyl 1-[4-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(4-oxo-2-thioxo-1H-quinazolin-3-yl)benzoyl]piperidine-3-carboxylate CAS Name: 1-[oxo-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)phenyl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzoyl]piperidine-3-carboxylate Traditional Name: 1-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]nipecotic acid ethyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C23H23N3O4S/c1-2-30-22(29)16-6-5-13-25(14-16)20(27)15-9-11-17(12-10-15)26-21(28)18-7-3-4-8-19(18)24-23(26)31/h3-4,7-12,16H,2,5-6,13-14H2,1H3,(H,24,31)