2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[2-(azepane-1-carbonyl)phenyl]thio]-N-isopropyl-acetamide Formula: C18H26N2O2S MolecularWeight: 334.47624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C18H26N2O2S/c1-14(2)19-17(21)13-23-16-10-6-5-9-15(16)18(22)20-11-7-3-4-8-12-20/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3,(H,19,21)