2-[2-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: 2-[2-[[3,4-bis(fluoranyl)phenyl]sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-[(3,4-difluorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H25F2N3O2S2 MolecularWeight: 453.568906

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1CCNS(=O)(=O)C2=CC(=C(C=C2)F)F)C3=CN=CC=C3

InChI

InChI=1S/C21H25F2N3O2S2/c1-24-20(29)21(16-6-4-11-25-14-16)10-3-2-5-15(21)9-12-26-30(27,28)17-7-8-18(22)19(23)13-17/h4,6-8,11,13-15,26H,2-3,5,9-10,12H2,1H3,(H,24,29)