1-(azepan-1-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(1-phenyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(1-phenylbenzimidazol-2-yl)thio]ethanone Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS/c25-20(23-14-8-1-2-9-15-23)16-26-21-22-18-12-6-7-13-19(18)24(21)17-10-4-3-5-11-17/h3-7,10-13H,1-2,8-9,14-16H2