1-(azepan-1-yl)-2-[2-[2-(3-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-[2-(3-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-[2-(3-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-[2-(3-methoxyphenoxy)ethylthio]-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-[2-(3-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-[2-(3-methoxyphenoxy)ethylthio]benzimidazol-1-yl]ethanone Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCCC4

InChI

InChI=1S/C24H29N3O3S/c1-29-19-9-8-10-20(17-19)30-15-16-31-24-25-21-11-4-5-12-22(21)27(24)18-23(28)26-13-6-2-3-7-14-26/h4-5,8-12,17H,2-3,6-7,13-16,18H2,1H3