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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl carbamimidothioate hydrobromide Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid 3-(1,3-dioxo-2-isoindolyl)propyl ester hydrobromide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl carbamimidothioate hydrobromide Traditional Name: 2-(3-phthalimidopropyl)isothiourea hydrobromide Formula: C12H14BrN3O2S MolecularWeight: 344.22746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O2S.BrH/c13-12(14)18-7-3-6-15-10(16)8-4-1-2-5-9(8)11(15)17;/h1-2,4-5H,3,6-7H2,(H3,13,14);1H