5-(N'-methylcarbamimidoyl)sulfanylpentyl N'-methylcarbamimidothioate bromide

Systemtic Name: 5-(N'-methylcarbamimidoyl)sulfanylpentyl N'-methylcarbamimidothioate bromide Openeye Name: 3-methyl-2-[5-(N'-methylcarbamimidoyl)sulfanylpentyl]isothiourea bromide CAS Name: N'-methylcarbamimidothioic acid 5-[[amino(methylimino)methyl]thio]pentyl ester bromide IUPAC Name: 5-(N'-methylcarbamimidoyl)sulfanylpentyl N'-methylcarbamimidothioate bromide Traditional Name: 3-methyl-2-[5-[(N'-methylamidino)thio]pentyl]isothiourea bromide Formula: C9H20BrN4S2- MolecularWeight: 328.3159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H20N4S2.BrH/c1-12-8(10)14-6-4-3-5-7-15-9(11)13-2;/h3-7H2,1-2H3,(H2,10,12)(H2,11,13);1H/p-1