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

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

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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)Cl

Isomeric SMILES

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

InChI

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