2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[2-[[2-(1-azepanyl)-2-oxoethyl]thio]-1-benzimidazolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]-1-piperidino-ethanone Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC3=CC=CC=C3N2CC(=O)N4CCCCC4

InChI

InChI=1S/C22H30N4O2S/c27-20(24-12-8-3-9-13-24)16-26-19-11-5-4-10-18(19)23-22(26)29-17-21(28)25-14-6-1-2-7-15-25/h4-5,10-11H,1-3,6-9,12-17H2