3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-methyl-pentan-2-ol dihydrochloride

Systemtic Name: 3-[(6-chloranyl-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-methyl-pentan-2-ol dihydrochloride Openeye Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-methyl-pentan-2-ol dihydrochloride CAS Name: 3-[[[6-chloro-5-(1-piperazinyl)-1H-benzimidazol-2-yl]thio]methyl]-2-methyl-2-pentanol dihydrochloride IUPAC Name: 3-[(6-chloro-5-piperazin-1-yl-1H-benzimidazol-2-yl)sulfanylmethyl]-2-methylpentan-2-ol dihydrochloride Traditional Name: 3-[[(6-chloro-5-piperazino-1H-benzimidazol-2-yl)thio]methyl]-2-methyl-pentan-2-ol dihydrochloride Formula: C18H29Cl3N4OS MolecularWeight: 455.87306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)C(C)(C)O.Cl.Cl

Isomeric SMILES

CCC(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)C(C)(C)O.Cl.Cl

InChI

InChI=1S/C18H27ClN4OS.2ClH/c1-4-12(18(2,3)24)11-25-17-21-14-9-13(19)16(10-15(14)22-17)23-7-5-20-6-8-23;;/h9-10,12,20,24H,4-8,11H2,1-3H3,(H,21,22);2*1H