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

Systemtic Name: 2-[[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]-3,5-bis(bromanyl)benzoic acid Openeye Name: 3,5-dibromo-2-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid CAS Name: 3,5-dibromo-2-[[[[[5-(2,5-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 3,5-dibromo-2-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]benzoic acid Traditional Name: 3,5-dibromo-2-[[5-(2,5-dichlorophenyl)-2-furoyl]thiocarbamoylamino]benzoic acid Formula: C19H10Br2Cl2N2O4S MolecularWeight: 593.0727

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br)Cl

Isomeric SMILES

C1=CC(=C(C=C1Cl)C2=CC=C(O2)C(=O)NC(=S)NC3=C(C=C(C=C3C(=O)O)Br)Br)Cl

InChI

InChI=1S/C19H10Br2Cl2N2O4S/c20-8-5-11(18(27)28)16(12(21)6-8)24-19(30)25-17(26)15-4-3-14(29-15)10-7-9(22)1-2-13(10)23/h1-7H,(H,27,28)(H2,24,25,26,30)