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

Systemtic Name: 3-[3-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride Openeye Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride CAS Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one dihydrochloride IUPAC Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one dihydrochloride Traditional Name: 3-[3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazino]propyl]-1H-benzimidazol-2-one dihydrochloride Formula: C28H31Cl3N4OS MolecularWeight: 577.99594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=C(C=CC(=C5)Cl)SC6=CC=CC=C46.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4CC5=C(C=CC(=C5)Cl)SC6=CC=CC=C46.Cl.Cl

InChI

InChI=1S/C28H29ClN4OS.2ClH/c29-21-10-11-26-20(18-21)19-25(22-6-1-4-9-27(22)35-26)32-16-14-31(15-17-32)12-5-13-33-24-8-3-2-7-23(24)30-28(33)34;;/h1-4,6-11,18,25H,5,12-17,19H2,(H,30,34);2*1H