N-methyl-2-oxidanylidene-N-pyridin-3-yl-cyclohexane-1-carbothioamide

Systemtic Name: N-methyl-2-oxidanylidene-N-pyridin-3-yl-cyclohexane-1-carbothioamide Openeye Name: N-methyl-2-oxo-N-(3-pyridyl)cyclohexanecarbothioamide CAS Name: N-methyl-2-oxo-N-(3-pyridinyl)-1-cyclohexanecarbothioamide IUPAC Name: N-methyl-2-oxo-N-pyridin-3-ylcyclohexane-1-carbothioamide Traditional Name: 2-keto-N-methyl-N-(3-pyridyl)cyclohexanecarbothioamide Formula: C13H16N2OS MolecularWeight: 248.34394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CN=CC=C1)C(=S)C2CCCCC2=O

Isomeric SMILES

CN(C1=CN=CC=C1)C(=S)C2CCCCC2=O

InChI

InChI=1S/C13H16N2OS/c1-15(10-5-4-8-14-9-10)13(17)11-6-2-3-7-12(11)16/h4-5,8-9,11H,2-3,6-7H2,1H3