(2-oxidanylideneoxolan-3-yl) N'-ethyl-N-phenyl-carbamimidothioate hydrobromide

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-ethyl-N-phenyl-carbamimidothioate hydrobromide Openeye Name: 3-ethyl-2-(2-oxotetrahydrofuran-3-yl)-1-phenyl-isothiourea hydrobromide CAS Name: N'-ethyl-N-phenylcarbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N'-ethyl-N-phenylcarbamimidothioate hydrobromide Traditional Name: 3-ethyl-2-(2-ketotetrahydrofuran-3-yl)-1-phenyl-isothiourea hydrobromide Formula: C13H17BrN2O2S MolecularWeight: 345.25528

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NC1=CC=CC=C1)SC2CCOC2=O.Br

Isomeric SMILES

CCN=C(NC1=CC=CC=C1)SC2CCOC2=O.Br

InChI

InChI=1S/C13H16N2O2S.BrH/c1-2-14-13(15-10-6-4-3-5-7-10)18-11-8-9-17-12(11)16;/h3-7,11H,2,8-9H2,1H3,(H,14,15);1H