N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-[2-fluoranyl-6-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-[2-fluoro-6-(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C19H19F4N3OS MolecularWeight: 413.432273

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=C(C=CC=C3F)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=C(C=CC=C3F)C(F)(F)F

InChI

InChI=1S/C19H19F4N3OS/c1-28-16-8-3-2-7-15(16)25-9-11-26(12-10-25)18(27)24-17-13(19(21,22)23)5-4-6-14(17)20/h2-8H,9-12H2,1H3,(H,24,27)