N-[(4-methylsulfanylphenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(4-methylsulfanylphenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: N-[[4-(methylthio)phenyl]methyl]-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: N-[(4-methylsulfanylphenyl)methyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: N-[4-(methylthio)benzyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide Formula: C23H23F3N4OS MolecularWeight: 460.51513

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(F)(F)F

InChI

InChI=1S/C23H23F3N4OS/c1-32-17-8-6-15(7-9-17)14-27-22(31)16-10-12-30(13-11-16)21-20(23(24,25)26)28-18-4-2-3-5-19(18)29-21/h2-9,16H,10-14H2,1H3,(H,27,31)