N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H19F6N3OS MolecularWeight: 463.439779

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3OS/c1-31-17-5-3-2-4-16(17)28-6-8-29(9-7-28)18(30)27-15-11-13(19(21,22)23)10-14(12-15)20(24,25)26/h2-5,10-12H,6-9H2,1H3,(H,27,30)