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

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-cyclooctyl-ethanamide Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-cyclooctyl-acetamide CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-cyclooctylacetamide Traditional Name: 2-[[2-(azepane-1-carbonyl)phenyl]thio]-N-cyclooctyl-acetamide Formula: C23H34N2O2S MolecularWeight: 402.59326

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C23H34N2O2S/c26-22(24-19-12-6-2-1-3-7-13-19)18-28-21-15-9-8-14-20(21)23(27)25-16-10-4-5-11-17-25/h8-9,14-15,19H,1-7,10-13,16-18H2,(H,24,26)