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

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-cyclohexyl-piperazine-1-carbothioamide Openeye Name: N-cyclohexyl-4-(2,6-difluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-(2,6-difluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclohexyl-4-(2,6-difluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclohexyl-4-(2,6-difluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H23F2N3O2S2 MolecularWeight: 403.510226

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

Isomeric SMILES

C1CCC(CC1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F

InChI

InChI=1S/C17H23F2N3O2S2/c18-14-7-4-8-15(19)16(14)26(23,24)22-11-9-21(10-12-22)17(25)20-13-5-2-1-3-6-13/h4,7-8,13H,1-3,5-6,9-12H2,(H,20,25)