ethyl 1-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoyl]piperidine-4-carboxylate Traditional Name: 1-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoyl]isonipecotic acid ethyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C22H29N3O4S/c1-2-29-21(28)16-11-14-24(15-12-16)19(26)10-4-3-7-13-25-20(27)17-8-5-6-9-18(17)23-22(25)30/h5-6,8-9,16H,2-4,7,10-15H2,1H3,(H,23,30)