3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride

Systemtic Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride Openeye Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride CAS Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one hydrochloride IUPAC Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one hydrochloride Traditional Name: 3-[3-[4-(5,10-dihydrothieno[2,3-c][2]benzothiepin-10-yl)piperazino]propyl]-1H-benzimidazol-2-one hydrochloride Formula: C26H29ClN4OS2 MolecularWeight: 513.11766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=C(SCC6=CC=CC=C46)SC=C5.Cl

Isomeric SMILES

C1CN(CCN1CCCN2C3=CC=CC=C3NC2=O)C4C5=C(SCC6=CC=CC=C46)SC=C5.Cl

InChI

InChI=1S/C26H28N4OS2.ClH/c31-26-27-22-8-3-4-9-23(22)30(26)12-5-11-28-13-15-29(16-14-28)24-20-7-2-1-6-19(20)18-33-25-21(24)10-17-32-25;/h1-4,6-10,17,24H,5,11-16,18H2,(H,27,31);1H