2-[[2-(azepan-1-yl)phenyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-[[2-(azepan-1-yl)phenyl]amino]-N-[2-(cyanomethylsulfanyl)phenyl]ethanamide Openeye Name: 2-[2-(azepan-1-yl)anilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide CAS Name: 2-[2-(1-azepanyl)anilino]-N-[2-(cyanomethylthio)phenyl]acetamide IUPAC Name: 2-[2-(azepan-1-yl)anilino]-N-[2-(cyanomethylsulfanyl)phenyl]acetamide Traditional Name: 2-[2-(azepan-1-yl)anilino]-N-[2-(cyanomethylthio)phenyl]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=CC=C2NCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1CCCN(CC1)C2=CC=CC=C2NCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C22H26N4OS/c23-13-16-28-21-12-6-4-10-19(21)25-22(27)17-24-18-9-3-5-11-20(18)26-14-7-1-2-8-15-26/h3-6,9-12,24H,1-2,7-8,14-17H2,(H,25,27)