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

Systemtic Name: 1-(azepan-1-yl)-2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(1-benzylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-benzylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-benzylbenzimidazol-2-yl)thio]ethanone Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3OS/c26-21(24-14-8-1-2-9-15-24)17-27-22-23-19-12-6-7-13-20(19)25(22)16-18-10-4-3-5-11-18/h3-7,10-13H,1-2,8-9,14-17H2