2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetamide CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)NC2CCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H28N4OS/c1-16-17(2)21(13-24)23(25-18(16)3)29-15-22(28)26-20-9-11-27(12-10-20)14-19-7-5-4-6-8-19/h4-8,20H,9-12,14-15H2,1-3H3,(H,26,28)