4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H17F4N3O2S2 MolecularWeight: 447.470093

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17F4N3O2S2/c19-13-5-7-14(8-6-13)29(26,27)25-11-9-24(10-12-25)17(28)23-16-4-2-1-3-15(16)18(20,21)22/h1-8H,9-12H2,(H,23,28)