(2-oxidanylideneoxolan-3-yl) N'-(4-methoxyphenyl)carbamimidothioate hydrobromide

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-(4-methoxyphenyl)carbamimidothioate hydrobromide Openeye Name: 3-(4-methoxyphenyl)-2-(2-oxotetrahydrofuran-3-yl)isothiourea hydrobromide CAS Name: N'-(4-methoxyphenyl)carbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N'-(4-methoxyphenyl)carbamimidothioate hydrobromide Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)-3-(4-methoxyphenyl)isothiourea hydrobromide Formula: C12H15BrN2O3S MolecularWeight: 347.2281

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N=C(N)SC2CCOC2=O.Br

Isomeric SMILES

COC1=CC=C(C=C1)N=C(N)SC2CCOC2=O.Br

InChI

InChI=1S/C12H14N2O3S.BrH/c1-16-9-4-2-8(3-5-9)14-12(13)18-10-6-7-17-11(10)15;/h2-5,10H,6-7H2,1H3,(H2,13,14);1H