1-(azepan-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(4-methoxyphenyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(4-methoxyphenyl)benzimidazol-2-yl]thio]ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3N=C2SCC(=O)N4CCCCCC4

InChI

InChI=1S/C22H25N3O2S/c1-27-18-12-10-17(11-13-18)25-20-9-5-4-8-19(20)23-22(25)28-16-21(26)24-14-6-2-3-7-15-24/h4-5,8-13H,2-3,6-7,14-16H2,1H3