3-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-fluoranyl-phenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[2-(3,5-dimethyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-fluorophenyl)-2-[[2-(3,5-dimethyl-1-piperidinyl)-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-fluorophenyl)-2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-[[2-(3,5-dimethylpiperidino)-2-keto-ethyl]thio]quinazolin-4-one Formula: C23H23ClFN3O2S MolecularWeight: 459.964023

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C

Isomeric SMILES

CC1CC(CN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)F)Cl)C

InChI

InChI=1S/C23H23ClFN3O2S/c1-14-9-15(2)12-27(11-14)21(29)13-31-23-26-20-6-4-3-5-17(20)22(30)28(23)16-7-8-19(25)18(24)10-16/h3-8,10,14-15H,9,11-13H2,1-2H3