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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-[3-(trifluoromethyl)phenyl]-4-quinazolinone IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]-3-[3-(trifluoromethyl)phenyl]quinazolin-4-one Formula: C23H22F3N3O2S MolecularWeight: 461.49989

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2S/c24-23(25,26)16-8-7-9-17(14-16)29-21(31)18-10-3-4-11-19(18)27-22(29)32-15-20(30)28-12-5-1-2-6-13-28/h3-4,7-11,14H,1-2,5-6,12-13,15H2