1-(4-ethanoylpiperazin-1-yl)-2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(o-tolylsulfanyl)-3-(trifluoromethyl)phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(2-methylphenyl)thio]-3-(trifluoromethyl)phenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(2-methylphenyl)sulfanyl-3-(trifluoromethyl)phenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-(o-tolylthio)-3-(trifluoromethyl)phenyl]prop-2-en-1-one Formula: C23H23F3N2O2S MolecularWeight: 448.50113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(CC3)C(=O)C)C(F)(F)F

InChI

InChI=1S/C23H23F3N2O2S/c1-15-6-4-5-7-20(15)31-21-9-8-18(14-19(21)23(24,25)26)16(2)22(30)28-12-10-27(11-13-28)17(3)29/h4-9,14H,2,10-13H2,1,3H3