2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]-N-phenylacetamide IUPAC Name: 2-[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]-1,4-diazepan-1-yl]-N-phenyl-acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C#N

Isomeric SMILES

CSC1=C(C=CC(=N1)CN2CCCN(CC2)CC(=O)NC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H25N5OS/c1-28-21-17(14-22)8-9-19(24-21)15-25-10-5-11-26(13-12-25)16-20(27)23-18-6-3-2-4-7-18/h2-4,6-9H,5,10-13,15-16H2,1H3,(H,23,27)