6-chloranyl-2-(2-methoxy-2-methyl-propyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride

Systemtic Name: 6-chloranyl-2-(2-methoxy-2-methyl-propyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Openeye Name: 6-chloro-2-(2-methoxy-2-methyl-propyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride CAS Name: 6-chloro-2-[(2-methoxy-2-methylpropyl)thio]-5-(1-piperazinyl)-1H-benzimidazole dihydrochloride IUPAC Name: 6-chloro-2-(2-methoxy-2-methylpropyl)sulfanyl-5-piperazin-1-yl-1H-benzimidazole dihydrochloride Traditional Name: 6-chloro-2-[(2-methoxy-2-methyl-propyl)thio]-5-piperazino-1H-benzimidazole dihydrochloride Formula: C16H25Cl3N4OS MolecularWeight: 427.8199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

Isomeric SMILES

CC(C)(CSC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3)OC.Cl.Cl

InChI

InChI=1S/C16H23ClN4OS.2ClH/c1-16(2,22-3)10-23-15-19-12-8-11(17)14(9-13(12)20-15)21-6-4-18-5-7-21;;/h8-9,18H,4-7,10H2,1-3H3,(H,19,20);2*1H