N-cyclohexyl-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-cyclohexyl-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-cyclohexyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-cyclohexyl-4-(2,3,4-trifluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-cyclohexyl-4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-cyclohexyl-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H22F3N3O2S2 MolecularWeight: 421.50069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22F3N3O2S2/c18-13-6-7-14(16(20)15(13)19)27(24,25)23-10-8-22(9-11-23)17(26)21-12-4-2-1-3-5-12/h6-7,12H,1-5,8-11H2,(H,21,26)