4-(N'-methylcarbamimidoyl)sulfanylbutyl N'-methylcarbamimidothioate bromide

Systemtic Name: 4-(N'-methylcarbamimidoyl)sulfanylbutyl N'-methylcarbamimidothioate bromide Openeye Name: 3-methyl-2-[4-(N'-methylcarbamimidoyl)sulfanylbutyl]isothiourea bromide CAS Name: N'-methylcarbamimidothioic acid 4-[[amino(methylimino)methyl]thio]butyl ester bromide IUPAC Name: 4-(N'-methylcarbamimidoyl)sulfanylbutyl N'-methylcarbamimidothioate bromide Traditional Name: 3-methyl-2-[4-[(N'-methylamidino)thio]butyl]isothiourea bromide Formula: C8H18BrN4S2- MolecularWeight: 314.28932

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)SCCCCSC(=NC)N.[Br-]

Isomeric SMILES

CN=C(N)SCCCCSC(=NC)N.[Br-]

InChI

InChI=1S/C8H18N4S2.BrH/c1-11-7(9)13-5-3-4-6-14-8(10)12-2;/h3-6H2,1-2H3,(H2,9,11)(H2,10,12);1H/p-1