2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S2/c1-23-20(28)21(17-6-4-13-24-15-17)12-3-2-5-16(21)11-14-25-29(26,27)19-9-7-18(22)8-10-19/h4,6-10,13,15-16,25H,2-3,5,11-12,14H2,1H3,(H,23,28)