N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C19H19ClF3N3OS MolecularWeight: 429.88687

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19ClF3N3OS/c1-28-17-5-3-2-4-16(17)25-8-10-26(11-9-25)18(27)24-13-6-7-15(20)14(12-13)19(21,22)23/h2-7,12H,8-11H2,1H3,(H,24,27)