dimethyl 5-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[5-(2,4-dichlorophenyl)furan-2-yl]carbonylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[[5-(2,4-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[[5-(2,4-dichlorophenyl)-2-furoyl]thiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H16Cl2N2O6S MolecularWeight: 507.34324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)C(=O)OC

InChI

InChI=1S/C22H16Cl2N2O6S/c1-30-20(28)11-7-12(21(29)31-2)9-14(8-11)25-22(33)26-19(27)18-6-5-17(32-18)15-4-3-13(23)10-16(15)24/h3-10H,1-2H3,(H2,25,26,27,33)