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

Systemtic Name: methyl N-[2-[(3-bromanylpyridin-2-yl)methylsulfanyl]ethyl]-N'-methyl-carbamimidothioate dihydrochloride Openeye Name: 1-[2-[(3-bromo-2-pyridyl)methylsulfanyl]ethyl]-2,3-dimethyl-isothiourea dihydrochloride CAS Name: N-[2-[(3-bromo-2-pyridinyl)methylthio]ethyl]-N'-methylcarbamimidothioic acid methyl ester dihydrochloride IUPAC Name: methyl N-[2-[(3-bromopyridin-2-yl)methylsulfanyl]ethyl]-N'-methylcarbamimidothioate dihydrochloride Traditional Name: 1-[2-[(3-bromo-2-pyridyl)methylthio]ethyl]-2,3-dimethyl-isothiourea dihydrochloride Formula: C11H18BrCl2N3S2 MolecularWeight: 407.22072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16BrN3S2.2ClH/c1-13-11(16-2)15-6-7-17-8-10-9(12)4-3-5-14-10;;/h3-5H,6-8H2,1-2H3,(H,13,15);2*1H