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

Systemtic Name: N-methyl-N-[2-(phenylsulfonylamino)ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-[2-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-[2-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-[2-(benzenesulfonamido)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: N-[2-(benzenesulfonamido)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCNS(=O)(=O)C1=CC=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

Isomeric SMILES

CN(CCNS(=O)(=O)C1=CC=CC=C1)C(=S)C2(CCCCC2)C3=CN=CC=C3

InChI

InChI=1S/C21H27N3O2S2/c1-24(16-15-23-28(25,26)19-10-4-2-5-11-19)20(27)21(12-6-3-7-13-21)18-9-8-14-22-17-18/h2,4-5,8-11,14,17,23H,3,6-7,12-13,15-16H2,1H3