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

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N-(4-chlorophenyl)-N'-methyl-carbamimidothioate hydrobromide Openeye Name: 1-(4-chlorophenyl)-3-methyl-2-(2-oxotetrahydrofuran-3-yl)isothiourea hydrobromide CAS Name: N-(4-chlorophenyl)-N'-methylcarbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N-(4-chlorophenyl)-N'-methylcarbamimidothioate hydrobromide Traditional Name: 1-(4-chlorophenyl)-2-(2-ketotetrahydrofuran-3-yl)-3-methyl-isothiourea hydrobromide Formula: C12H14BrClN2O2S MolecularWeight: 365.67376

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NC1=CC=C(C=C1)Cl)SC2CCOC2=O.Br

Isomeric SMILES

CN=C(NC1=CC=C(C=C1)Cl)SC2CCOC2=O.Br

InChI

InChI=1S/C12H13ClN2O2S.BrH/c1-14-12(18-10-6-7-17-11(10)16)15-9-4-2-8(13)3-5-9;/h2-5,10H,6-7H2,1H3,(H,14,15);1H