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

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[2-(4-methyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[2-keto-2-(4-methylpiperidino)ethyl]thio]quinazolin-4-one Formula: C22H21ClFN3O2S MolecularWeight: 445.937443

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C22H21ClFN3O2S/c1-14-8-10-26(11-9-14)20(28)13-30-22-25-19-5-3-2-4-16(19)21(29)27(22)15-6-7-18(24)17(23)12-15/h2-7,12,14H,8-11,13H2,1H3