(5-oxidanylidene-4-propyl-oxolan-2-yl)methyl carbamimidothioate hydrobromide

Systemtic Name: (5-oxidanylidene-4-propyl-oxolan-2-yl)methyl carbamimidothioate hydrobromide Openeye Name: 2-[(5-oxo-4-propyl-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (5-oxo-4-propyl-2-oxolanyl)methyl ester hydrobromide IUPAC Name: (5-oxo-4-propyloxolan-2-yl)methyl carbamimidothioate hydrobromide Traditional Name: 2-[(5-keto-4-propyl-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide Formula: C9H17BrN2O2S MolecularWeight: 297.21248

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(OC1=O)CSC(=N)N.Br

Isomeric SMILES

CCCC1CC(OC1=O)CSC(=N)N.Br

InChI

InChI=1S/C9H16N2O2S.BrH/c1-2-3-6-4-7(13-8(6)12)5-14-9(10)11;/h6-7H,2-5H2,1H3,(H3,10,11);1H