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

Systemtic Name: N-(1-adamantyl)-2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(azepane-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(azepane-1-carbonyl)phenyl]thio]acetamide Formula: C25H34N2O2S MolecularWeight: 426.61466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N2O2S/c28-23(26-25-14-18-11-19(15-25)13-20(12-18)16-25)17-30-22-8-4-3-7-21(22)24(29)27-9-5-1-2-6-10-27/h3-4,7-8,18-20H,1-2,5-6,9-17H2,(H,26,28)