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

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,6-difluorophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(2,6-difluorophenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,6-difluorophenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C13H17F2N3O2S2 MolecularWeight: 349.419786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17F2N3O2S2/c1-2-16-13(21)17-6-8-18(9-7-17)22(19,20)12-10(14)4-3-5-11(12)15/h3-5H,2,6-9H2,1H3,(H,16,21)