(4-heptyl-5-oxidanylidene-oxolan-2-yl)methyl carbamimidothioate

Systemtic Name: (4-heptyl-5-oxidanylidene-oxolan-2-yl)methyl carbamimidothioate Openeye Name: 2-[(4-heptyl-5-oxo-tetrahydrofuran-2-yl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-heptyl-5-oxo-2-oxolanyl)methyl ester IUPAC Name: (4-heptyl-5-oxooxolan-2-yl)methyl carbamimidothioate Traditional Name: 2-[(4-heptyl-5-keto-tetrahydrofuran-2-yl)methyl]isothiourea Formula: C13H24N2O2S MolecularWeight: 272.40686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CC(OC1=O)CSC(=N)N

Isomeric SMILES

CCCCCCCC1CC(OC1=O)CSC(=N)N

InChI

InChI=1S/C13H24N2O2S/c1-2-3-4-5-6-7-10-8-11(17-12(10)16)9-18-13(14)15/h10-11H,2-9H2,1H3,(H3,14,15)