6-(N,N'-dibutylcarbamimidoyl)sulfanylhexyl N,N'-dibutylcarbamimidothioate hydrobromide

Systemtic Name: 6-(N,N'-dibutylcarbamimidoyl)sulfanylhexyl N,N'-dibutylcarbamimidothioate hydrobromide Openeye Name: 1,3-dibutyl-2-[6-(N,N'-dibutylcarbamimidoyl)sulfanylhexyl]isothiourea hydrobromide CAS Name: N,N'-dibutylcarbamimidothioic acid 6-[[butylamino(butylimino)methyl]thio]hexyl ester hydrobromide IUPAC Name: 6-(N,N'-dibutylcarbamimidoyl)sulfanylhexyl N,N'-dibutylcarbamimidothioate hydrobromide Traditional Name: 1,3-dibutyl-2-[6-[(N,N'-dibutylamidino)thio]hexyl]isothiourea hydrobromide Formula: C24H51BrN4S2 MolecularWeight: 539.72254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=NCCCC)SCCCCCCSC(=NCCCC)NCCCC.Br

Isomeric SMILES

CCCCNC(=NCCCC)SCCCCCCSC(=NCCCC)NCCCC.Br

InChI

InChI=1S/C24H50N4S2.BrH/c1-5-9-17-25-23(26-18-10-6-2)29-21-15-13-14-16-22-30-24(27-19-11-7-3)28-20-12-8-4;/h5-22H2,1-4H3,(H,25,26)(H,27,28);1H