6-(N,N'-diethylcarbamimidoyl)sulfanylhexyl N,N'-diethylcarbamimidothioate hydrobromide

Systemtic Name: 6-(N,N'-diethylcarbamimidoyl)sulfanylhexyl N,N'-diethylcarbamimidothioate hydrobromide Openeye Name: 2-[6-(N,N'-diethylcarbamimidoyl)sulfanylhexyl]-1,3-diethyl-isothiourea hydrobromide CAS Name: N,N'-diethylcarbamimidothioic acid 6-[[ethylamino(ethylimino)methyl]thio]hexyl ester hydrobromide IUPAC Name: 6-(N,N'-diethylcarbamimidoyl)sulfanylhexyl N,N'-diethylcarbamimidothioate hydrobromide Traditional Name: 2-[6-[(N,N'-diethylamidino)thio]hexyl]-1,3-diethyl-isothiourea hydrobromide Formula: C16H35BrN4S2 MolecularWeight: 427.5099

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=NCC)SCCCCCCSC(=NCC)NCC.Br

Isomeric SMILES

CCNC(=NCC)SCCCCCCSC(=NCC)NCC.Br

InChI

InChI=1S/C16H34N4S2.BrH/c1-5-17-15(18-6-2)21-13-11-9-10-12-14-22-16(19-7-3)20-8-4;/h5-14H2,1-4H3,(H,17,18)(H,19,20);1H