1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-methylsulfanyl-benzimidazole trihydrate trihydrochloride

Systemtic Name: 1-[3-[4-(diphenylmethyl)piperazin-1-yl]propyl]-2-methylsulfanyl-benzimidazole trihydrate trihydrochloride Openeye Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-methylsulfanyl-benzimidazole trihydrate trihydrochloride CAS Name: 1-[3-[4-(diphenylmethyl)-1-piperazinyl]propyl]-2-(methylthio)benzimidazole trihydrate trihydrochloride IUPAC Name: 1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-methylsulfanylbenzimidazole trihydrate trihydrochloride Traditional Name: 1-[3-(4-benzhydrylpiperazino)propyl]-2-(methylthio)benzimidazole trihydrate trihydrochloride Formula: C28H41Cl3N4O3S MolecularWeight: 620.07414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.O.O.O.Cl.Cl.Cl

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CCCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C28H32N4S.3ClH.3H2O/c1-33-28-29-25-15-8-9-16-26(25)32(28)18-10-17-30-19-21-31(22-20-30)27(23-11-4-2-5-12-23)24-13-6-3-7-14-24;;;;;;/h2-9,11-16,27H,10,17-22H2,1H3;3*1H;3*1H2