methyl 3-(furan-2-ylmethylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 3-(furan-2-ylmethylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 3-(2-furylmethylcarbamothioylcarbamoyl)benzoate CAS Name: 3-[[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethylcarbamothioylcarbamoyl)benzoate Traditional Name: 3-(2-furfurylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C15H14N2O4S MolecularWeight: 318.34766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NCC2=CC=CO2

InChI

InChI=1S/C15H14N2O4S/c1-20-14(19)11-5-2-4-10(8-11)13(18)17-15(22)16-9-12-6-3-7-21-12/h2-8H,9H2,1H3,(H2,16,17,18,22)