3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C20H15BrN2O5S MolecularWeight: 475.3125

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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=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O5S/c1-27-16-7-4-12(19(25)26)10-14(16)22-20(29)23-18(24)17-9-8-15(28-17)11-2-5-13(21)6-3-11/h2-10H,1H3,(H,25,26)(H2,22,23,24,29)