4-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(p-tolylsulfonyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-tosyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C19H20F3N3O2S2 MolecularWeight: 443.50621

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S2/c1-14-5-7-17(8-6-14)29(26,27)25-11-9-24(10-12-25)18(28)23-16-4-2-3-15(13-16)19(20,21)22/h2-8,13H,9-12H2,1H3,(H,23,28)