N-(1-adamantyl)-2-[2-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[2-(4-propylpiperazin-4-ium-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[2-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[2-[oxo-(4-propyl-1-piperazin-4-iumyl)methyl]phenyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[2-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[2-(4-propylpiperazin-4-ium-1-carbonyl)phenyl]thio]acetamide Formula: C26H38N3O2S+ MolecularWeight: 456.66382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H37N3O2S/c1-2-7-28-8-10-29(11-9-28)25(31)22-5-3-4-6-23(22)32-18-24(30)27-26-15-19-12-20(16-26)14-21(13-19)17-26/h3-6,19-21H,2,7-18H2,1H3,(H,27,30)/p+1