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

Systemtic Name: N-(1-adamantylmethyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantylmethyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantylmethyl)-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantylmethyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantylmethyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c24-6-3-7-27-20-5-2-1-4-19(20)26-22(27)29-14-21(28)25-15-23-11-16-8-17(12-23)10-18(9-16)13-23/h1-2,4-5,16-18H,3,7-15H2,(H,25,28)