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

Systemtic Name: 6-chloranyl-2-(1,3-dimethoxypropan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-[2-methoxy-1-(methoxymethyl)ethyl]sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(1,3-dimethoxypropan-2-ylthio)-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(1,3-dimethoxypropan-2-ylsulfanyl)-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[[2-methoxy-1-(methoxymethyl)ethyl]thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C16H25Cl3N4O2S MolecularWeight: 443.8193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN4O2S.2ClH/c1-22-9-11(10-23-2)24-16-19-13-7-12(17)15(8-14(13)20-16)21-5-3-18-4-6-21;;/h7-8,11,18H,3-6,9-10H2,1-2H3,(H,19,20);2*1H