ethyl 1-[[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[3-[(4-chlorophenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(4-chlorophenyl)methyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-chlorophenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-(4-chlorobenzyl)-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]nipecotic acid ethyl ester Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-2-32-23(31)17-4-3-11-27(14-17)21(29)16-7-10-19-20(12-16)26-24(33)28(22(19)30)13-15-5-8-18(25)9-6-15/h5-10,12,17H,2-4,11,13-14H2,1H3,(H,26,33)