N-(1-adamantyl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]thio]acetamide Formula: C25H36N4O3S2 MolecularWeight: 504.70834

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H36N4O3S2/c1-4-28(5-2)34(31,32)20-7-8-22-21(12-20)26-24(29(22)6-3)33-16-23(30)27-25-13-17-9-18(14-25)11-19(10-17)15-25/h7-8,12,17-19H,4-6,9-11,13-16H2,1-3H3,(H,27,30)