N-(1-adamantyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-adamantyl)-2-[5-chloranyl-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-adamantyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-acetamide CAS Name: N-(1-adamantyl)-2-[[5-chloro-1-(2-methoxyethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide Traditional Name: N-(1-adamantyl)-2-[[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]thio]acetamide Formula: C22H28ClN3O2S MolecularWeight: 433.99462

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H28ClN3O2S/c1-28-5-4-26-19-3-2-17(23)9-18(19)24-21(26)29-13-20(27)25-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,25,27)