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

Systemtic Name: (2-oxidanylideneoxolan-3-yl) N-(4-methoxyphenyl)-N'-methyl-carbamimidothioate hydrobromide Openeye Name: 1-(4-methoxyphenyl)-3-methyl-2-(2-oxotetrahydrofuran-3-yl)isothiourea hydrobromide CAS Name: N-(4-methoxyphenyl)-N'-methylcarbamimidothioic acid (2-oxo-3-oxolanyl) ester hydrobromide IUPAC Name: (2-oxooxolan-3-yl) N-(4-methoxyphenyl)-N'-methylcarbamimidothioate hydrobromide Traditional Name: 2-(2-ketotetrahydrofuran-3-yl)-1-(4-methoxyphenyl)-3-methyl-isothiourea hydrobromide Formula: C13H17BrN2O3S MolecularWeight: 361.25468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O3S.BrH/c1-14-13(19-11-7-8-18-12(11)16)15-9-3-5-10(17-2)6-4-9;/h3-6,11H,7-8H2,1-2H3,(H,14,15);1H