2-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoyl-methyl-amino]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]-methyl-amino]-N-(p-tolyl)acetamide CAS Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]-methylamino]-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]-methyl-amino]-N-(p-tolyl)acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CSC2=NC(=C(C=C2C#N)C(=O)C)C

InChI

InChI=1S/C21H22N4O3S/c1-13-5-7-17(8-6-13)24-19(27)11-25(4)20(28)12-29-21-16(10-22)9-18(15(3)26)14(2)23-21/h5-9H,11-12H2,1-4H3,(H,24,27)