methyl 2-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butanoate dihydrochloride

Systemtic Name: methyl 2-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butanoate dihydrochloride Openeye Name: methyl 2-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butanoate dihydrochloride CAS Name: 2-[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]butanoic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanyl]butanoate dihydrochloride Traditional Name: 2-[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]butyric acid methyl ester dihydrochloride Formula: C16H23Cl3N4O2S MolecularWeight: 441.80342

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

Isomeric SMILES

CCC(C(=O)OC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3.Cl.Cl

InChI

InChI=1S/C16H21ClN4O2S.2ClH/c1-3-14(15(22)23-2)24-16-19-11-8-10(17)13(9-12(11)20-16)21-6-4-18-5-7-21;;/h8-9,14,18H,3-7H2,1-2H3,(H,19,20);2*1H