2-(2-carbamimidoylsulfanylethylamino)ethyl carbamimidothioate trihydrobromide

Systemtic Name: 2-(2-carbamimidoylsulfanylethylamino)ethyl carbamimidothioate trihydrobromide Openeye Name: 2-[2-(2-carbamimidoylsulfanylethylamino)ethyl]isothiourea trihydrobromide CAS Name: carbamimidothioic acid 2-[2-(carbamimidoylthio)ethylamino]ethyl ester trihydrobromide IUPAC Name: 2-(2-carbamimidoylsulfanylethylamino)ethyl carbamimidothioate trihydrobromide Traditional Name: 2-[2-[2-(amidinothio)ethylamino]ethyl]isothiourea trihydrobromide Formula: C6H18Br3N5S2 MolecularWeight: 464.08262

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC(=N)N)NCCSC(=N)N.Br.Br.Br

Isomeric SMILES

C(CSC(=N)N)NCCSC(=N)N.Br.Br.Br

InChI

InChI=1S/C6H15N5S2.3BrH/c7-5(8)12-3-1-11-2-4-13-6(9)10;;;/h11H,1-4H2,(H3,7,8)(H3,9,10);3*1H