6-chloranyl-2-(1,3-diethoxypropan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(1,3-diethoxypropan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-[2-ethoxy-1-(ethoxymethyl)ethyl]sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(1,3-diethoxypropan-2-ylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(1,3-diethoxypropan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[[2-ethoxy-1-(ethoxymethyl)ethyl]thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C18H29Cl3N4O2S MolecularWeight: 471.87246

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(COCC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

Isomeric SMILES

CCOCC(COCC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C18H27ClN4O2S.2ClH/c1-3-24-11-13(12-25-4-2)26-18-21-15-9-14(19)17(10-16(15)22-18)23-7-5-20-6-8-23;;/h9-10,13,20H,3-8,11-12H2,1-2H3,(H,21,22);2*1H