[4-(3-methylbutyl)-5-oxidanylidene-oxolan-2-yl]methyl carbamimidothioate hydrobromide

Systemtic Name: [4-(3-methylbutyl)-5-oxidanylidene-oxolan-2-yl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[(4-isopentyl-5-oxo-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid [4-(3-methylbutyl)-5-oxo-2-oxolanyl]methyl ester hydrobromide IUPAC Name: [4-(3-methylbutyl)-5-oxooxolan-2-yl]methyl carbamimidothioate hydrobromide Traditional Name: 2-[(4-isoamyl-5-keto-tetrahydrofuran-2-yl)methyl]isothiourea hydrobromide Formula: C11H21BrN2O2S MolecularWeight: 325.26564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1CC(OC1=O)CSC(=N)N.Br

Isomeric SMILES

CC(C)CCC1CC(OC1=O)CSC(=N)N.Br

InChI

InChI=1S/C11H20N2O2S.BrH/c1-7(2)3-4-8-5-9(15-10(8)14)6-16-11(12)13;/h7-9H,3-6H2,1-2H3,(H3,12,13);1H