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

Systemtic Name: N-[4-[[4-[(5-cyano-6-methylsulfanyl-pyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-[(5-cyano-6-methylsulfanyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[[5-cyano-6-(methylthio)-2-pyridinyl]methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-[(5-cyano-6-methylsulfanylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[[5-cyano-6-(methylthio)-2-pyridyl]methyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC(=C(C=C3)C#N)SC

InChI

InChI=1S/C22H27N5OS/c1-17(28)24-20-7-4-18(5-8-20)15-26-10-3-11-27(13-12-26)16-21-9-6-19(14-23)22(25-21)29-2/h4-9H,3,10-13,15-16H2,1-2H3,(H,24,28)