1-(azepan-1-yl)-2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-(2-phenoxyethylthio)-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-(2-phenoxyethylthio)benzimidazol-1-yl]ethanone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCCOC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(25-14-8-1-2-9-15-25)18-26-21-13-7-6-12-20(21)24-23(26)29-17-16-28-19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2