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

Systemtic Name: N-methyl-2-[2-(propylsulfonylamino)ethyl]-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-methyl-2-[2-(propylsulfonylamino)ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-2-[2-(propylsulfonylamino)ethyl]-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-2-[2-(propylsulfonylamino)ethyl]-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: N-methyl-2-[2-(propylsulfonylamino)ethyl]-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C18H29N3O2S2 MolecularWeight: 383.57176

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)NCCC1CCCCC1(C2=CN=CC=C2)C(=S)NC

Isomeric SMILES

CCCS(=O)(=O)NCCC1CCCCC1(C2=CN=CC=C2)C(=S)NC

InChI

InChI=1S/C18H29N3O2S2/c1-3-13-25(22,23)21-12-9-15-7-4-5-10-18(15,17(24)19-2)16-8-6-11-20-14-16/h6,8,11,14-15,21H,3-5,7,9-10,12-13H2,1-2H3,(H,19,24)