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

Systemtic Name: 3-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-(2-oxidanylidene-2-piperidin-1-yl-ethyl)sulfanyl-quinazolin-4-one Openeye Name: 3-[4-(difluoromethylsulfanyl)phenyl]-2-[2-oxo-2-(1-piperidyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[4-(difluoromethylthio)phenyl]-2-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-[4-(difluoromethylsulfanyl)phenyl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylquinazolin-4-one Traditional Name: 3-[4-(difluoromethylthio)phenyl]-2-[(2-keto-2-piperidino-ethyl)thio]quinazolin-4-one Formula: C22H21F2N3O2S2 MolecularWeight: 461.547846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)SC(F)F

InChI

InChI=1S/C22H21F2N3O2S2/c23-21(24)31-16-10-8-15(9-11-16)27-20(29)17-6-2-3-7-18(17)25-22(27)30-14-19(28)26-12-4-1-5-13-26/h2-3,6-11,21H,1,4-5,12-14H2