3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride

Systemtic Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride Openeye Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride CAS Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrochloride IUPAC Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride Traditional Name: 3-[3-[4-(6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazino]propyl]-1H-benzimidazol-2-one hydrochloride Formula: C28H31ClN4OS MolecularWeight: 507.08994

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=CC=CC=C5CSC6=CC=CC=C46.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=CC=CC=C5CSC6=CC=CC=C46.Cl

InChI

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