[1,3-bis(oxidanylidene)isoindol-2-yl]methyl carbamimidothioate hydrobromide

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (1,3-dioxo-2-isoindolyl)methyl ester hydrobromide IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl carbamimidothioate hydrobromide Traditional Name: 2-(phthalimidomethyl)isothiourea hydrobromide Formula: C10H10BrN3O2S MolecularWeight: 316.1743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(=N)N.Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC(=N)N.Br

InChI

InChI=1S/C10H9N3O2S.BrH/c11-10(12)16-5-13-8(14)6-3-1-2-4-7(6)9(13)15;/h1-4H,5H2,(H3,11,12);1H