N-methyl-2-oxidanyl-1-pyridin-4-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-2-oxidanyl-1-pyridin-4-yl-cyclohexane-1-carbothioamide Openeye Name: 2-hydroxy-N-methyl-1-(4-pyridyl)cyclohexanecarbothioamide CAS Name: 2-hydroxy-N-methyl-1-pyridin-4-yl-1-cyclohexanecarbothioamide IUPAC Name: 2-hydroxy-N-methyl-1-pyridin-4-ylcyclohexane-1-carbothioamide Traditional Name: 2-hydroxy-N-methyl-1-(4-pyridyl)cyclohexanecarbothioamide Formula: C13H18N2OS MolecularWeight: 250.35982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C1(CCCCC1O)C2=CC=NC=C2

Isomeric SMILES

CNC(=S)C1(CCCCC1O)C2=CC=NC=C2

InChI

InChI=1S/C13H18N2OS/c1-14-12(17)13(7-3-2-4-11(13)16)10-5-8-15-9-6-10/h5-6,8-9,11,16H,2-4,7H2,1H3,(H,14,17)