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

Systemtic Name: 2-[[5-(3-chlorophenyl)furan-2-yl]carbonylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[[5-(3-chlorophenyl)-2-furanyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[5-(3-chlorophenyl)furan-2-carbonyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[5-(3-chlorophenyl)-2-furoyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C19H11ClI2N2O4S MolecularWeight: 652.62858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H11ClI2N2O4S/c20-10-3-1-2-9(6-10)14-4-5-15(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)