methyl N'-methyl-N-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate dihydrochloride

Systemtic Name: methyl N'-methyl-N-[2-[(3-oxidanylpyridin-2-yl)methylsulfanyl]ethyl]carbamimidothioate dihydrochloride Openeye Name: 1-[2-[(3-hydroxy-2-pyridyl)methylsulfanyl]ethyl]-2,3-dimethyl-isothiourea dihydrochloride CAS Name: N-[2-[(3-hydroxy-2-pyridinyl)methylthio]ethyl]-N'-methylcarbamimidothioic acid methyl ester dihydrochloride IUPAC Name: methyl N-[2-[(3-hydroxypyridin-2-yl)methylsulfanyl]ethyl]-N'-methylcarbamimidothioate dihydrochloride Traditional Name: 1-[2-[(3-hydroxy-2-pyridyl)methylthio]ethyl]-2,3-dimethyl-isothiourea dihydrochloride Formula: C11H19Cl2N3OS2 MolecularWeight: 344.32406

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCCSCC1=C(C=CC=N1)O)SC.Cl.Cl

Isomeric SMILES

CN=C(NCCSCC1=C(C=CC=N1)O)SC.Cl.Cl

InChI

InChI=1S/C11H17N3OS2.2ClH/c1-12-11(16-2)14-6-7-17-8-9-10(15)4-3-5-13-9;;/h3-5,15H,6-8H2,1-2H3,(H,12,14);2*1H