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

Systemtic Name: 2-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C20H21IN2O4S MolecularWeight: 512.36121

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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=C2)I)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C20H21IN2O4S/c1-20(2,3)12-4-7-14(8-5-12)27-11-17(24)23-19(28)22-16-9-6-13(21)10-15(16)18(25)26/h4-10H,11H2,1-3H3,(H,25,26)(H2,22,23,24,28)