3,5-bis(bromanyl)-2-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 3,5-bis(bromanyl)-2-[[5-(4-bromophenyl)furan-2-yl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 3,5-dibromo-2-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[[5-(4-bromophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[5-(4-bromophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[5-(4-bromophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H11Br3N2O4S MolecularWeight: 603.07864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br)Br

InChI

InChI=1S/C19H11Br3N2O4S/c20-10-3-1-9(2-4-10)14-5-6-15(28-14)17(25)24-19(29)23-16-12(18(26)27)7-11(21)8-13(16)22/h1-8H,(H,26,27)(H2,23,24,25,29)