[(E)-4-carbamimidoylsulfanylbut-2-enyl] carbamimidothioate dihydrochloride

Systemtic Name: [(E)-4-carbamimidoylsulfanylbut-2-enyl] carbamimidothioate dihydrochloride Openeye Name: 2-[(E)-4-carbamimidoylsulfanylbut-2-enyl]isothiourea dihydrochloride CAS Name: carbamimidothioic acid [(E)-4-(carbamimidoylthio)but-2-enyl] ester dihydrochloride IUPAC Name: [(E)-4-carbamimidoylsulfanylbut-2-enyl] carbamimidothioate dihydrochloride Traditional Name: 2-[(E)-4-(amidinothio)but-2-enyl]isothiourea dihydrochloride Formula: C6H14Cl2N4S2 MolecularWeight: 277.23816

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Descriptors Computed from Structure

Canonical SMILES:

C(C=CCSC(=N)N)SC(=N)N.Cl.Cl

Isomeric SMILES

C(/C=C/CSC(=N)N)SC(=N)N.Cl.Cl

InChI

InChI=1S/C6H12N4S2.2ClH/c7-5(8)11-3-1-2-4-12-6(9)10;;/h1-2H,3-4H2,(H3,7,8)(H3,9,10);2*1H/b2-1+;;