5-(N'-prop-2-enylcarbamimidoyl)sulfanylpentyl N'-prop-2-enylcarbamimidothioate bromide

Systemtic Name: 5-(N'-prop-2-enylcarbamimidoyl)sulfanylpentyl N'-prop-2-enylcarbamimidothioate bromide Openeye Name: 3-allyl-2-[5-(N'-allylcarbamimidoyl)sulfanylpentyl]isothiourea bromide CAS Name: N'-prop-2-enylcarbamimidothioic acid 5-[[amino(prop-2-enylimino)methyl]thio]pentyl ester bromide IUPAC Name: 5-(N'-prop-2-enylcarbamimidoyl)sulfanylpentyl N'-prop-2-enylcarbamimidothioate bromide Traditional Name: 3-allyl-2-[5-[(N'-allylamidino)thio]pentyl]isothiourea bromide Formula: C13H24BrN4S2- MolecularWeight: 380.39046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N4S2.BrH/c1-3-8-16-12(14)18-10-6-5-7-11-19-13(15)17-9-4-2;/h3-4H,1-2,5-11H2,(H2,14,16)(H2,15,17);1H/p-1