2-(3-butoxybutylsulfanyl)-6-chloranyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 2-(3-butoxybutylsulfanyl)-6-chloranyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 2-(3-butoxybutylsulfanyl)-6-chloro-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 2-(3-butoxybutylthio)-6-chloro-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 2-(3-butoxybutylsulfanyl)-6-chloro-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 2-(3-butoxybutylthio)-6-chloro-5-piperazino-1H-benzimidazole dihydrochloride Formula: C19H31Cl3N4OS MolecularWeight: 469.89964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C)CCSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

Isomeric SMILES

CCCCOC(C)CCSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C19H29ClN4OS.2ClH/c1-3-4-10-25-14(2)5-11-26-19-22-16-12-15(20)18(13-17(16)23-19)24-8-6-21-7-9-24;;/h12-14,21H,3-11H2,1-2H3,(H,22,23);2*1H