1-(azepan-1-yl)-2-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-[2-(4-methoxyphenoxy)ethylthio]-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-[2-(4-methoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-[2-(4-methoxyphenoxy)ethylthio]benzimidazol-1-yl]ethanone Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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