(2R)-1-(azepan-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)propan-1-one

Systemtic Name: (2R)-1-(azepan-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)propan-1-one Openeye Name: (2R)-1-(azepan-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)propan-1-one CAS Name: (2R)-1-(1-azepanyl)-2-(1H-benzimidazol-2-ylthio)-1-propanone IUPAC Name: (2R)-1-(azepan-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)propan-1-one Traditional Name: (2R)-1-(azepan-1-yl)-2-(1H-benzimidazol-2-ylthio)propan-1-one Formula: C16H21N3OS MolecularWeight: 303.42244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C16H21N3OS/c1-12(15(20)19-10-6-2-3-7-11-19)21-16-17-13-8-4-5-9-14(13)18-16/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,17,18)/t12-/m1/s1