4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-difluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-difluorophenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-difluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-difluorophenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C15H21F2N3O2S3 MolecularWeight: 409.537946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21F2N3O2S3/c1-24-10-2-5-18-15(23)19-6-8-20(9-7-19)25(21,22)14-11-12(16)3-4-13(14)17/h3-4,11H,2,5-10H2,1H3,(H,18,23)