3-(4-fluorophenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(4-fluorophenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(4-fluorophenyl)-2-[2-(3-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(4-fluorophenyl)-2-[[2-(3-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(4-fluorophenyl)-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(4-fluorophenyl)-2-[[2-keto-2-(3-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F

InChI

InChI=1S/C22H22FN3O2S/c1-15-5-4-12-25(13-15)20(27)14-29-22-24-19-7-3-2-6-18(19)21(28)26(22)17-10-8-16(23)9-11-17/h2-3,6-11,15H,4-5,12-14H2,1H3