N-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-[[1-(2-methoxyethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]thio]propionamide Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCOC

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC5=CC=CC=C5N4CCOC

InChI

InChI=1S/C23H31N3O2S/c1-15(21(27)25-23-12-16-9-17(13-23)11-18(10-16)14-23)29-22-24-19-5-3-4-6-20(19)26(22)7-8-28-2/h3-6,15-18H,7-14H2,1-2H3,(H,25,27)