N-(1-adamantyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5N4CCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=NC5=CC=CC=C5N4CCC#N

InChI

InChI=1S/C22H26N4OS/c23-6-3-7-26-19-5-2-1-4-18(19)24-21(26)28-14-20(27)25-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,15-17H,3,7-14H2,(H,25,27)