methyl 4-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(tetrahydrofuran-2-ylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(oxolan-2-ylmethylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(tetrahydrofurfurylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O4S/c1-20-14(19)11-6-4-10(5-7-11)13(18)17-15(22)16-9-12-3-2-8-21-12/h4-7,12H,2-3,8-9H2,1H3,(H2,16,17,18,22)