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

Systemtic Name: 2-[[5-[2,5-bis(chloranyl)phenyl]furan-2-yl]carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[[5-(2,5-dichlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[5-(2,5-dichlorophenyl)furan-2-carbonyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[5-(2,5-dichlorophenyl)-2-furoyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C19H10Cl2I2N2O4S MolecularWeight: 687.07364

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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)I)I)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H10Cl2I2N2O4S/c20-8-1-2-12(21)10(5-8)14-3-4-15(29-14)17(26)25-19(30)24-16-11(18(27)28)6-9(22)7-13(16)23/h1-7H,(H,27,28)(H2,24,25,26,30)