2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(3-cyanophenyl)acetamide CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(3-cyanophenyl)acetamide Traditional Name: 2-[[2-(azepane-1-carbonyl)phenyl]thio]-N-(3-cyanophenyl)acetamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H23N3O2S/c23-15-17-8-7-9-18(14-17)24-21(26)16-28-20-11-4-3-10-19(20)22(27)25-12-5-1-2-6-13-25/h3-4,7-11,14H,1-2,5-6,12-13,16H2,(H,24,26)