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

Systemtic Name: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine-1-carbothioamide Formula: C14H18F3N3O2S2 MolecularWeight: 381.43683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C14H18F3N3O2S2/c1-2-18-13(23)19-7-9-20(10-8-19)24(21,22)12-6-4-3-5-11(12)14(15,16)17/h3-6H,2,7-10H2,1H3,(H,18,23)