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

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-bromanyl-propyl] carbamimidothioate Openeye Name: 2-[2-bromo-3-(1,3-dioxoisoindolin-2-yl)propyl]isothiourea CAS Name: carbamimidothioic acid [2-bromo-3-(1,3-dioxo-2-isoindolyl)propyl] ester IUPAC Name: [2-bromo-3-(1,3-dioxoisoindol-2-yl)propyl] carbamimidothioate Traditional Name: 2-(2-bromo-3-phthalimido-propyl)isothiourea Formula: C12H12BrN3O2S MolecularWeight: 342.21158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrN3O2S/c13-7(6-19-12(14)15)5-16-10(17)8-3-1-2-4-9(8)11(16)18/h1-4,7H,5-6H2,(H3,14,15)