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

Systemtic Name: ethyl 1-[[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazolin-7-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazolin-7-yl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carbonyl]nipecotic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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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)CCC4=CCCCC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CCCCC4

InChI

InChI=1S/C25H31N3O4S/c1-2-32-24(31)19-9-6-13-27(16-19)22(29)18-10-11-20-21(15-18)26-25(33)28(23(20)30)14-12-17-7-4-3-5-8-17/h7,10-11,15,19H,2-6,8-9,12-14,16H2,1H3,(H,26,33)