methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H19N3O5S/c1-29-21(28)15-10-8-14(9-11-15)19(26)25-22(31)24-18-7-3-2-6-17(18)20(27)23-13-16-5-4-12-30-16/h2-12H,13H2,1H3,(H,23,27)(H2,24,25,26,31)