methyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(furan-2-ylcarbonylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[[2-furanyl(oxo)methyl]amino]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-(furan-2-carbonylamino)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(2-furoylamino)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H17N3O5S/c1-28-20(27)14-9-7-13(8-10-14)18(25)24-21(30)23-16-5-2-4-15(12-16)22-19(26)17-6-3-11-29-17/h2-12H,1H3,(H,22,26)(H2,23,24,25,30)