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

Systemtic Name: [1-methyl-4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-2-yl]methanol dihydrochloride Openeye Name: [4-[2-(1-ethylpropylsulfanyl)-3H-benzimidazol-5-yl]-1-methyl-piperazin-2-yl]methanol dihydrochloride CAS Name: [1-methyl-4-[2-(pentan-3-ylthio)-3H-benzimidazol-5-yl]-2-piperazinyl]methanol dihydrochloride IUPAC Name: [1-methyl-4-(2-pentan-3-ylsulfanyl-3H-benzimidazol-5-yl)piperazin-2-yl]methanol dihydrochloride Traditional Name: [4-[2-(1-ethylpropylthio)-3H-benzimidazol-5-yl]-1-methyl-piperazin-2-yl]methanol 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(C(C3)CO)C.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=C(C=C2)N3CCN(C(C3)CO)C.Cl.Cl

InChI

InChI=1S/C18H28N4OS.2ClH/c1-4-15(5-2)24-18-19-16-7-6-13(10-17(16)20-18)22-9-8-21(3)14(11-22)12-23;;/h6-7,10,14-15,23H,4-5,8-9,11-12H2,1-3H3,(H,19,20);2*1H