2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanyl-N-[4-(4-benzylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]-N-[4-(4-benzylpiperazino)phenyl]acetamide Formula: C28H29N5O2S MolecularWeight: 499.62716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C#N)C(=O)C

InChI

InChI=1S/C28H29N5O2S/c1-20-26(21(2)34)16-23(17-29)28(30-20)36-19-27(35)31-24-8-10-25(11-9-24)33-14-12-32(13-15-33)18-22-6-4-3-5-7-22/h3-11,16H,12-15,18-19H2,1-2H3,(H,31,35)