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

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H17ClF3N3O2S2 MolecularWeight: 463.92469

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H17ClF3N3O2S2/c19-14-4-6-16(7-5-14)29(26,27)25-10-8-24(9-11-25)17(28)23-15-3-1-2-13(12-15)18(20,21)22/h1-7,12H,8-11H2,(H,23,28)