N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(1-adamantyl)ethyl]-2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O2S/c1-27-17-2-3-18-19(9-17)25-21(24-18)28-13-20(26)23-5-4-22-10-14-6-15(11-22)8-16(7-14)12-22/h2-3,9,14-16H,4-8,10-13H2,1H3,(H,23,26)(H,24,25)