3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one hydrochloride

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-6-oxidanyl-2-sulfanylidene-1H-quinazolin-4-one hydrochloride Openeye Name: 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one hydrochloride CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one hydrochloride IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6-hydroxy-2-sulfanylidene-1H-quinazolin-4-one hydrochloride Traditional Name: 3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-6-hydroxy-2-thioxo-1H-quinazolin-4-one hydrochloride Formula: C22H23ClFN3O3S MolecularWeight: 463.952723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=CC(=C4)O)NC3=S.Cl

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=C(C=CC(=C4)O)NC3=S.Cl

InChI

InChI=1S/C22H22FN3O3S.ClH/c23-16-3-1-14(2-4-16)20(28)15-7-9-25(10-8-15)11-12-26-21(29)18-13-17(27)5-6-19(18)24-22(26)30;/h1-6,13,15,27H,7-12H2,(H,24,30);1H