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

Systemtic Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Openeye Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide CAS Name: N-[2-[4-(methylthio)phenyl]ethyl]-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(4-methylsulfanylphenyl)ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]piperidine-4-carboxamide Traditional Name: N-[2-[4-(methylthio)phenyl]ethyl]-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide Formula: C24H25F3N4OS MolecularWeight: 474.54171

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25F3N4OS/c1-33-18-8-6-16(7-9-18)10-13-28-23(32)17-11-14-31(15-12-17)22-21(24(25,26)27)29-19-4-2-3-5-20(19)30-22/h2-9,17H,10-15H2,1H3,(H,28,32)