N-(1-adamantyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]acetamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C26H29N3O2S/c1-31-21-8-6-20(7-9-21)29-23-5-3-2-4-22(23)27-25(29)32-16-24(30)28-26-13-17-10-18(14-26)12-19(11-17)15-26/h2-9,17-19H,10-16H2,1H3,(H,28,30)