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

Systemtic Name: N-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-benzyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-(phenylmethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C19H20F3N3O2S2 MolecularWeight: 443.50621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H20F3N3O2S2/c20-19(21,22)16-8-4-5-9-17(16)29(26,27)25-12-10-24(11-13-25)18(28)23-14-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,28)