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

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N'-(4-chlorophenyl)carbamimidothioate hydrobromide Openeye Name: 3-(4-chlorophenyl)-2-(2-oxotetrahydrofuran-3-yl)isothiourea hydrobromide CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N'-(4-chlorophenyl)carbamimidothioate hydrobromide Traditional Name: 3-(4-chlorophenyl)-2-(2-ketotetrahydrofuran-3-yl)isothiourea hydrobromide Formula: C11H12BrClN2O2S MolecularWeight: 351.64718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11ClN2O2S.BrH/c12-7-1-3-8(4-2-7)14-11(13)17-9-5-6-16-10(9)15;/h1-4,9H,5-6H2,(H2,13,14);1H