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

Systemtic Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-1-yl]propane-1,3-diol dihydrochloride Openeye Name: 2-[4-[2-(1-ethylpropylsulfanyl)-3H-benzimidazol-5-yl]piperazin-1-yl]propane-1,3-diol dihydrochloride CAS Name: 2-[4-[2-(pentan-3-ylthio)-3H-benzimidazol-5-yl]-1-piperazinyl]propane-1,3-diol dihydrochloride IUPAC Name: 2-[4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-1-yl]propane-1,3-diol dihydrochloride Traditional Name: 2-[4-[2-(1-ethylpropylthio)-3H-benzimidazol-5-yl]piperazino]propane-1,3-diol dihydrochloride Formula: C19H32Cl2N4O2S MolecularWeight: 451.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S.2ClH/c1-3-16(4-2)26-19-20-17-6-5-14(11-18(17)21-19)22-7-9-23(10-8-22)15(12-24)13-25;;/h5-6,11,15-16,24-25H,3-4,7-10,12-13H2,1-2H3,(H,20,21);2*1H