N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-isopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-propan-2-yl-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-isopropyl-4-[3-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C15H20F3N3O2S2 MolecularWeight: 395.46341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H20F3N3O2S2/c1-11(2)19-14(24)20-6-8-21(9-7-20)25(22,23)13-5-3-4-12(10-13)15(16,17)18/h3-5,10-11H,6-9H2,1-2H3,(H,19,24)