2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: 2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-[(3-cyanophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S2/c1-24-21(29)22(19-8-5-12-25-16-19)11-3-2-7-18(22)10-13-26-30(27,28)20-9-4-6-17(14-20)15-23/h4-6,8-9,12,14,16,18,26H,2-3,7,10-11,13H2,1H3,(H,24,29)