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

Systemtic Name: 2-[2-(butylsulfonylamino)ethyl]-N-methyl-1-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: 2-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide CAS Name: 2-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: 2-[2-(butylsulfonylamino)ethyl]-N-methyl-1-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-[2-(butylsulfonylamino)ethyl]-N-methyl-1-(3-pyridyl)cyclohexanecarbothioamide Formula: C19H31N3O2S2 MolecularWeight: 397.59834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3O2S2/c1-3-4-14-26(23,24)22-13-10-16-8-5-6-11-19(16,18(25)20-2)17-9-7-12-21-15-17/h7,9,12,15-16,22H,3-6,8,10-11,13-14H2,1-2H3,(H,20,25)