N-(1-adamantylcarbamoyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[1-(2-cyanoethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[[1-(2-cyanoethyl)benzimidazol-2-yl]thio]propionamide Formula: C24H29N5O2S MolecularWeight: 451.58436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCC#N

Isomeric SMILES

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCC#N

InChI

InChI=1S/C24H29N5O2S/c1-15(32-23-26-19-5-2-3-6-20(19)29(23)8-4-7-25)21(30)27-22(31)28-24-12-16-9-17(13-24)11-18(10-16)14-24/h2-3,5-6,15-18H,4,8-14H2,1H3,(H2,27,28,30,31)