methyl 1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylate dihydrochloride

Systemtic Name: methyl 1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylate dihydrochloride Openeye Name: methyl 1-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]piperazine-2-carboxylate dihydrochloride CAS Name: 1-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-2-piperazinecarboxylic acid methyl ester dihydrochloride IUPAC Name: methyl 1-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)piperazine-2-carboxylate dihydrochloride Traditional Name: 1-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]piperazine-2-carboxylic acid methyl ester dihydrochloride Formula: C18H27Cl3N4O2S MolecularWeight: 469.85658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3C(=O)OC.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCNCC3C(=O)OC.Cl.Cl

InChI

InChI=1S/C18H25ClN4O2S.2ClH/c1-4-11(5-2)26-18-21-13-8-12(19)15(9-14(13)22-18)23-7-6-20-10-16(23)17(24)25-3;;/h8-9,11,16,20H,4-7,10H2,1-3H3,(H,21,22);2*1H