2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C20H20I2N2O4S MolecularWeight: 638.25774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I

InChI

InChI=1S/C20H20I2N2O4S/c1-20(2,3)11-4-6-13(7-5-11)28-10-16(25)23-19(29)24-17-14(18(26)27)8-12(21)9-15(17)22/h4-9H,10H2,1-3H3,(H,26,27)(H2,23,24,25,29)