6-chloranyl-2-(oxan-4-ylmethylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(oxan-4-ylmethylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-piperazin-1-yl-2-(tetrahydropyran-4-ylmethylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(4-oxanylmethylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(oxan-4-ylmethylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-piperazino-2-(tetrahydropyran-4-ylmethylthio)-1H-benzimidazole dihydrochloride Formula: C17H25Cl3N4OS MolecularWeight: 439.8306

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

C1COCCC1CSC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C17H23ClN4OS.2ClH/c18-13-9-14-15(10-16(13)22-5-3-19-4-6-22)21-17(20-14)24-11-12-1-7-23-8-2-12;;/h9-10,12,19H,1-8,11H2,(H,20,21);2*1H