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

Systemtic Name: 6-chloranyl-2-(oxan-4-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-piperazin-1-yl-2-tetrahydropyran-4-ylsulfanyl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(4-oxanylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(oxan-4-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-piperazino-2-(tetrahydropyran-4-ylthio)-1H-benzimidazole dihydrochloride Formula: C16H23Cl3N4OS MolecularWeight: 425.80402

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

Isomeric SMILES

C1COCCC1SC2=NC3=CC(=C(C=C3N2)Cl)N4CCNCC4.Cl.Cl

InChI

InChI=1S/C16H21ClN4OS.2ClH/c17-12-9-13-14(10-15(12)21-5-3-18-4-6-21)20-16(19-13)23-11-1-7-22-8-2-11;;/h9-11,18H,1-8H2,(H,19,20);2*1H