2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride

Systemtic Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride Openeye Name: 2-[4-[2-(1-ethylpropylsulfanyl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol dihydrochloride CAS Name: 2-[4-[2-(pentan-3-ylthio)-3H-benzimidazol-5-yl]-1-piperazinyl]ethanol dihydrochloride IUPAC Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanol dihydrochloride Traditional Name: 2-[4-[2-(1-ethylpropylthio)-3H-benzimidazol-5-yl]piperazino]ethanol dihydrochloride Formula: C18H30Cl2N4OS MolecularWeight: 421.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCN(CC3)CCO.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCN(CC3)CCO.Cl.Cl

InChI

InChI=1S/C18H28N4OS.2ClH/c1-3-15(4-2)24-18-19-16-6-5-14(13-17(16)20-18)22-9-7-21(8-10-22)11-12-23;;/h5-6,13,15,23H,3-4,7-12H2,1-2H3,(H,19,20);2*1H