2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl carbamimidothioate bromide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl carbamimidothioate bromide Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]isothiourea bromide CAS Name: carbamimidothioic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester bromide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl carbamimidothioate bromide Traditional Name: 2-(2-phthalimidoethyl)isothiourea bromide Formula: C11H11BrN3O2S- MolecularWeight: 329.19294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(=N)N.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCSC(=N)N.[Br-]

InChI

InChI=1S/C11H11N3O2S.BrH/c12-11(13)17-6-5-14-9(15)7-3-1-2-4-8(7)10(14)16;/h1-4H,5-6H2,(H3,12,13);1H/p-1