1-(azepan-1-yl)-2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[2-[(4-chlorophenyl)methylthio]-1-benzimidazolyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[2-[(4-chlorobenzyl)thio]benzimidazol-1-yl]ethanone Formula: C22H24ClN3OS MolecularWeight: 413.96346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN3OS/c23-18-11-9-17(10-12-18)16-28-22-24-19-7-3-4-8-20(19)26(22)15-21(27)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-16H2