N-(3-methylsulfanylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Openeye Name: N-(3-methylsulfanylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxamide Traditional Name: N-[3-(methylthio)phenyl]-4-[3-(trifluoromethyl)benzyl]piperazine-1-carboxamide Formula: C20H22F3N3OS MolecularWeight: 409.46839

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)N2CCN(CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

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