N-tert-butyl-2-[4-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]piperazin-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]-1-piperazinyl]-N-tert-butylacetamide IUPAC Name: 2-[4-[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]piperazin-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]piperazino]-N-tert-butyl-acetamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)N2CCN(CC2)CC(=O)NC(C)(C)C)C#N)C(=O)C

InChI

InChI=1S/C21H29N5O3S/c1-14-17(15(2)27)10-16(11-22)20(23-14)30-13-19(29)26-8-6-25(7-9-26)12-18(28)24-21(3,4)5/h10H,6-9,12-13H2,1-5H3,(H,24,28)