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

Systemtic Name: 6-chloranyl-5-(1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-5-(1,4-diazepan-1-yl)-2-(1-ethylpropylsulfanyl)-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-5-(1,4-diazepan-1-yl)-2-(pentan-3-ylthio)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-5-(1,4-diazepan-1-yl)-2-pentan-3-ylsulfanyl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-5-(1,4-diazepan-1-yl)-2-(1-ethylpropylthio)-1H-benzimidazole dihydrochloride Formula: C17H27Cl3N4S MolecularWeight: 425.84708

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCNCC3.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCCNCC3.Cl.Cl

InChI

InChI=1S/C17H25ClN4S.2ClH/c1-3-12(4-2)23-17-20-14-10-13(18)16(11-15(14)21-17)22-8-5-6-19-7-9-22;;/h10-12,19H,3-9H2,1-2H3,(H,20,21);2*1H