6-(N'-butylcarbamimidoyl)sulfanylhexyl N'-butylcarbamimidothioate bromide

Systemtic Name: 6-(N'-butylcarbamimidoyl)sulfanylhexyl N'-butylcarbamimidothioate bromide Openeye Name: 3-butyl-2-[6-(N'-butylcarbamimidoyl)sulfanylhexyl]isothiourea bromide CAS Name: N'-butylcarbamimidothioic acid 6-[[amino(butylimino)methyl]thio]hexyl ester bromide IUPAC Name: 6-(N'-butylcarbamimidoyl)sulfanylhexyl N'-butylcarbamimidothioate bromide Traditional Name: 3-butyl-2-[6-[(N'-butylamidino)thio]hexyl]isothiourea bromide Formula: C16H34BrN4S2- MolecularWeight: 426.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCCCCCCSC(=NCCCC)N.[Br-]

Isomeric SMILES

CCCCN=C(N)SCCCCCCSC(=NCCCC)N.[Br-]

InChI

InChI=1S/C16H34N4S2.BrH/c1-3-5-11-19-15(17)21-13-9-7-8-10-14-22-16(18)20-12-6-4-2;/h3-14H2,1-2H3,(H2,17,19)(H2,18,20);1H/p-1