4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(2,6-difluorophenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C15H21F2N3O2S3 MolecularWeight: 409.537946

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C15H21F2N3O2S3/c1-24-11-3-6-18-15(23)19-7-9-20(10-8-19)25(21,22)14-12(16)4-2-5-13(14)17/h2,4-5H,3,6-11H2,1H3,(H,18,23)