3-[[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[[5-(2,5-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[5-(2,5-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C20H14Cl2N2O5S MolecularWeight: 465.30656

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl

InChI

InChI=1S/C20H14Cl2N2O5S/c1-28-16-5-2-10(19(26)27)8-14(16)23-20(30)24-18(25)17-7-6-15(29-17)12-9-11(21)3-4-13(12)22/h2-9H,1H3,(H,26,27)(H2,23,24,25,30)