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

Systemtic Name: N-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[1-(4-ethoxyphenyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[1-(4-ethoxyphenyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[(1-p-phenetylbenzimidazol-2-yl)thio]acetamide Formula: C27H31N3O2S MolecularWeight: 461.61894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H31N3O2S/c1-2-32-22-9-7-21(8-10-22)30-24-6-4-3-5-23(24)28-26(30)33-17-25(31)29-27-14-18-11-19(15-27)13-20(12-18)16-27/h3-10,18-20H,2,11-17H2,1H3,(H,29,31)