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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CCOC4=CC=CC=C4

InChI

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