N-(1-adamantyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-imidazol-2-yl]thio]acetamide Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCCO6

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCCO6

InChI

InChI=1S/C25H31N3O3S/c1-2-28-20(19-3-4-21-22(10-19)31-6-5-30-21)14-26-24(28)32-15-23(29)27-25-11-16-7-17(12-25)9-18(8-16)13-25/h3-4,10,14,16-18H,2,5-9,11-13,15H2,1H3,(H,27,29)