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

Systemtic Name: (4-hexyl-5-oxidanylidene-oxolan-2-yl)methyl carbamimidothioate hydrobromide Openeye Name: 2-[(4-hexyl-5-oxo-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid (4-hexyl-5-oxo-2-oxolanyl)methyl ester hydrobromide IUPAC Name: (4-hexyl-5-oxooxolan-2-yl)methyl carbamimidothioate hydrobromide Traditional Name: 2-[(4-hexyl-5-keto-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide Formula: C12H23BrN2O2S MolecularWeight: 339.29222

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC1=O)CSC(=N)N.Br

Isomeric SMILES

CCCCCCC1CC(OC1=O)CSC(=N)N.Br

InChI

InChI=1S/C12H22N2O2S.BrH/c1-2-3-4-5-6-9-7-10(16-11(9)15)8-17-12(13)14;/h9-10H,2-8H2,1H3,(H3,13,14);1H