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

Systemtic Name: 4-[2,4-bis(fluoranyl)phenyl]sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(2,4-difluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(2,4-difluorophenyl)sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,4-difluorophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(2,4-difluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Formula: C12H15F2N3O2S2 MolecularWeight: 335.393206

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)F

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)F)F

InChI

InChI=1S/C12H15F2N3O2S2/c1-15-12(20)16-4-6-17(7-5-16)21(18,19)11-3-2-9(13)8-10(11)14/h2-3,8H,4-7H2,1H3,(H,15,20)