2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one

Systemtic Name: 2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-3-[2-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[(2-keto-2-piperidino-ethyl)thio]-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C22H20F3N3O2S MolecularWeight: 447.47331

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H20F3N3O2S/c23-22(24,25)16-9-3-5-11-18(16)28-20(30)15-8-2-4-10-17(15)26-21(28)31-14-19(29)27-12-6-1-7-13-27/h2-5,8-11H,1,6-7,12-14H2