6-chloranyl-5-(4-ethylpiperazin-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-5-(4-ethylpiperazin-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-(4-ethylpiperazin-1-yl)-2-(1-ethylpropylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-5-(4-ethyl-1-piperazinyl)-2-(pentan-3-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-5-(4-ethylpiperazin-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-(4-ethylpiperazino)-2-(1-ethylpropylthio)-1H-benzimidazole dihydrochloride Formula: C18H29Cl3N4S MolecularWeight: 439.87366

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCN(CC3)CC.Cl.Cl

InChI

InChI=1S/C18H27ClN4S.2ClH/c1-4-13(5-2)24-18-20-15-11-14(19)17(12-16(15)21-18)23-9-7-22(6-3)8-10-23;;/h11-13H,4-10H2,1-3H3,(H,20,21);2*1H