N-(1-adamantylcarbamoyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-propanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-(1-adamantylcarbamoyl)propanamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[(1-adamantylamino)-oxomethyl]propanamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-(1-adamantylcarbamoyl)propanamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-(1-adamantylcarbamoyl)propionamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C#N)C(=O)C

InChI

InChI=1S/C23H28N4O3S/c1-12-19(13(2)28)7-18(11-24)21(25-12)31-14(3)20(29)26-22(30)27-23-8-15-4-16(9-23)6-17(5-15)10-23/h7,14-17H,4-6,8-10H2,1-3H3,(H2,26,27,29,30)