1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)pyrrolidin-3-amine dihydrochloride

Systemtic Name: 1-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)pyrrolidin-3-amine dihydrochloride Openeye Name: 1-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-benzimidazol-5-yl]pyrrolidin-3-amine dihydrochloride CAS Name: 1-[6-chloro-2-(pentan-3-ylthio)-1H-benzimidazol-5-yl]-3-pyrrolidinamine dihydrochloride IUPAC Name: 1-(6-chloro-2-pentan-3-ylsulfanyl-1H-benzimidazol-5-yl)pyrrolidin-3-amine dihydrochloride Traditional Name: [1-[6-chloro-2-(1-ethylpropylthio)-1H-benzimidazol-5-yl]pyrrolidin-3-yl]amine dihydrochloride Formula: C16H25Cl3N4S MolecularWeight: 411.8205

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCC(C3)N.Cl.Cl

Isomeric SMILES

CCC(CC)SC1=NC2=CC(=C(C=C2N1)Cl)N3CCC(C3)N.Cl.Cl

InChI

InChI=1S/C16H23ClN4S.2ClH/c1-3-11(4-2)22-16-19-13-7-12(17)15(8-14(13)20-16)21-6-5-10(18)9-21;;/h7-8,10-11H,3-6,9,18H2,1-2H3,(H,19,20);2*1H