4-(N'-prop-2-enylcarbamimidoyl)sulfanylbutyl N'-prop-2-enylcarbamimidothioate bromide

Systemtic Name: 4-(N'-prop-2-enylcarbamimidoyl)sulfanylbutyl N'-prop-2-enylcarbamimidothioate bromide Openeye Name: 3-allyl-2-[4-(N'-allylcarbamimidoyl)sulfanylbutyl]isothiourea bromide CAS Name: N'-prop-2-enylcarbamimidothioic acid 4-[[amino(prop-2-enylimino)methyl]thio]butyl ester bromide IUPAC Name: 4-(N'-prop-2-enylcarbamimidoyl)sulfanylbutyl N'-prop-2-enylcarbamimidothioate bromide Traditional Name: 3-allyl-2-[4-[(N'-allylamidino)thio]butyl]isothiourea bromide Formula: C12H22BrN4S2- MolecularWeight: 366.36388

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(N)SCCCCSC(=NCC=C)N.[Br-]

Isomeric SMILES

C=CCN=C(N)SCCCCSC(=NCC=C)N.[Br-]

InChI

InChI=1S/C12H22N4S2.BrH/c1-3-7-15-11(13)17-9-5-6-10-18-12(14)16-8-4-2;/h3-4H,1-2,5-10H2,(H2,13,15)(H2,14,16);1H/p-1