(2-oxidanylideneoxolan-3-yl) N'-phenylcarbamimidothioate hydrobromide

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-phenylcarbamimidothioate hydrobromide Openeye Name: 2-(2-oxotetrahydrofuran-3-yl)-3-phenyl-isothiourea hydrobromide CAS Name: N'-phenylcarbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N'-phenylcarbamimidothioate hydrobromide Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)-3-phenyl-isothiourea hydrobromide Formula: C11H13BrN2O2S MolecularWeight: 317.20212

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1SC(=NC2=CC=CC=C2)N.Br

Isomeric SMILES

C1COC(=O)C1SC(=NC2=CC=CC=C2)N.Br

InChI

InChI=1S/C11H12N2O2S.BrH/c12-11(13-8-4-2-1-3-5-8)16-9-6-7-15-10(9)14;/h1-5,9H,6-7H2,(H2,12,13);1H