methyl 3-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(tetrahydrofuran-2-ylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[oxo-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(tetrahydrofurfurylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2CCCO2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2CCCO2

InChI

InChI=1S/C15H18N2O4S/c1-20-14(19)11-5-2-4-10(8-11)13(18)17-15(22)16-9-12-6-3-7-21-12/h2,4-5,8,12H,3,6-7,9H2,1H3,(H2,16,17,18,22)