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

Systemtic Name: 6-chloranyl-2-pentan-3-ylsulfanyl-5-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(1-ethylpropylsulfanyl)-5-(4-isopropylpiperazin-1-yl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-(pentan-3-ylthio)-5-(4-propan-2-yl-1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-pentan-3-ylsulfanyl-5-(4-propan-2-ylpiperazin-1-yl)-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-(1-ethylpropylthio)-5-(4-isopropylpiperazino)-1H-benzimidazole dihydrochloride Formula: C19H31Cl3N4S MolecularWeight: 453.90024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN4S.2ClH/c1-5-14(6-2)25-19-21-16-11-15(20)18(12-17(16)22-19)24-9-7-23(8-10-24)13(3)4;;/h11-14H,5-10H2,1-4H3,(H,21,22);2*1H