3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride

Systemtic Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride Openeye Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride CAS Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride IUPAC Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride Traditional Name: 3-[3-[4-(5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazino]propyl]-1H-benzimidazol-2-one dihydrochloride Formula: C28H32Cl2N4OS MolecularWeight: 543.55088

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=CC=CC=C5SC6=CC=CC=C46.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=CC=CC=C5SC6=CC=CC=C46.Cl.Cl

InChI

InChI=1S/C28H30N4OS.2ClH/c33-28-29-23-10-3-4-11-24(23)32(28)15-7-14-30-16-18-31(19-17-30)25-20-21-8-1-5-12-26(21)34-27-13-6-2-9-22(25)27;;/h1-6,8-13,25H,7,14-20H2,(H,29,33);2*1H