N-(1-adamantylcarbamoyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H26N4O2S/c1-12-3-13(2)23-19(17(12)10-22)28-11-18(26)24-20(27)25-21-7-14-4-15(8-21)6-16(5-14)9-21/h3,14-16H,4-9,11H2,1-2H3,(H2,24,25,26,27)