[(E)-4-carbamimidoylsulfanyl-3-methyl-but-2-enyl] carbamimidothioate bromide

Systemtic Name: [(E)-4-carbamimidoylsulfanyl-3-methyl-but-2-enyl] carbamimidothioate bromide Openeye Name: 2-[(E)-4-carbamimidoylsulfanyl-2-methyl-but-2-enyl]isothiourea bromide CAS Name: carbamimidothioic acid [(E)-4-(carbamimidoylthio)-3-methylbut-2-enyl] ester bromide IUPAC Name: [(E)-4-carbamimidoylsulfanyl-3-methylbut-2-enyl] carbamimidothioate bromide Traditional Name: 2-[(E)-4-(amidinothio)-2-methyl-but-2-enyl]isothiourea bromide Formula: C7H14BrN4S2- MolecularWeight: 298.24686

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCSC(=N)N)CSC(=N)N.[Br-]

Isomeric SMILES

C/C(=C\CSC(=N)N)/CSC(=N)N.[Br-]

InChI

InChI=1S/C7H14N4S2.BrH/c1-5(4-13-7(10)11)2-3-12-6(8)9;/h2H,3-4H2,1H3,(H3,8,9)(H3,10,11);1H/p-1/b5-2+;