N-(2-methylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-methylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide Traditional Name: N-[2-(methylthio)phenyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazino]acetamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3OS/c1-28-18-8-3-2-7-17(18)24-19(27)14-25-9-11-26(12-10-25)16-6-4-5-15(13-16)20(21,22)23/h2-8,13H,9-12,14H2,1H3,(H,24,27)