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

Systemtic Name: 3-[2-[4-(4-fluorophenyl)carbonylpiperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one hydrochloride Openeye Name: 3-[2-[4-(4-fluorobenzoyl)-1-piperidyl]ethyl]-2-thioxo-1H-quinazolin-4-one hydrochloride CAS Name: 3-[2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperidinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one hydrochloride IUPAC Name: 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one hydrochloride Traditional Name: 3-[2-[4-(4-fluorobenzoyl)piperidino]ethyl]-2-thioxo-1H-quinazolin-4-one hydrochloride Formula: C22H23ClFN3O2S MolecularWeight: 447.953323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.Cl

Isomeric SMILES

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=S.Cl

InChI

InChI=1S/C22H22FN3O2S.ClH/c23-17-7-5-15(6-8-17)20(27)16-9-11-25(12-10-16)13-14-26-21(28)18-3-1-2-4-19(18)24-22(26)29;/h1-8,16H,9-14H2,(H,24,29);1H