1-(azepan-1-yl)-2-[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(2-methoxyphenyl)-5-phenyl-2-imidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[1-(2-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[[1-(2-methoxyphenyl)-5-phenyl-imidazol-2-yl]thio]ethanone Formula: C24H27N3O2S MolecularWeight: 421.55508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=CN=C2SCC(=O)N3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=CN=C2SCC(=O)N3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C24H27N3O2S/c1-29-22-14-8-7-13-20(22)27-21(19-11-5-4-6-12-19)17-25-24(27)30-18-23(28)26-15-9-2-3-10-16-26/h4-8,11-14,17H,2-3,9-10,15-16,18H2,1H3