N-methyl-2-(phenylsulfonylaminomethyl)-1-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-2-(phenylsulfonylaminomethyl)-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-(benzenesulfonamidomethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-(benzenesulfonamidomethyl)-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-(benzenesulfonamidomethyl)-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-(benzenesulfonamidomethyl)-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3

Isomeric SMILES

CNC(=S)C1(CCCCC1CNS(=O)(=O)C2=CC=CC=C2)C3=CN=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-21-19(26)20(16-9-7-13-22-14-16)12-6-5-8-17(20)15-23-27(24,25)18-10-3-2-4-11-18/h2-4,7,9-11,13-14,17,23H,5-6,8,12,15H2,1H3,(H,21,26)