1-methyl-4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-quinolin-2-one

Systemtic Name: 1-methyl-4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-quinolin-2-one Openeye Name: 1-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanyl-quinolin-2-one CAS Name: 1-methyl-4-[[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]thio]-2-quinolinone IUPAC Name: 1-methyl-4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylquinolin-2-one Traditional Name: 4-[[2-keto-2-[4-[3-(trifluoromethyl)phenyl]piperazino]ethyl]thio]-1-methyl-carbostyril Formula: C23H22F3N3O2S MolecularWeight: 461.49989

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=CC1=O)SCC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O2S/c1-27-19-8-3-2-7-18(19)20(14-21(27)30)32-15-22(31)29-11-9-28(10-12-29)17-6-4-5-16(13-17)23(24,25)26/h2-8,13-14H,9-12,15H2,1H3