(3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate dihydrochloride

Systemtic Name: (3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate dihydrochloride Openeye Name: 2-(3-carbamimidoylsulfanylquinoxalin-2-yl)isothiourea dihydrochloride CAS Name: carbamimidothioic acid [3-(carbamimidoylthio)-2-quinoxalinyl] ester dihydrochloride IUPAC Name: (3-carbamimidoylsulfanylquinoxalin-2-yl) carbamimidothioate dihydrochloride Traditional Name: 2-[3-(amidinothio)quinoxalin-2-yl]isothiourea dihydrochloride Formula: C10H12Cl2N6S2 MolecularWeight: 351.27848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)SC(=N)N)SC(=N)N.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)SC(=N)N)SC(=N)N.Cl.Cl

InChI

InChI=1S/C10H10N6S2.2ClH/c11-9(12)17-7-8(18-10(13)14)16-6-4-2-1-3-5(6)15-7;;/h1-4H,(H3,11,12)(H3,13,14);2*1H