5-iodanyl-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 5-iodanyl-2-[[3-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]benzoic acid Openeye Name: 5-iodo-2-[(3-isobutoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 5-iodo-2-[[[[[3-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-iodo-2-[[3-(2-methylpropoxy)benzoyl]carbamothioylamino]benzoic acid Traditional Name: 5-iodo-2-[(3-isobutoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H19IN2O4S MolecularWeight: 498.33463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C19H19IN2O4S/c1-11(2)10-26-14-5-3-4-12(8-14)17(23)22-19(27)21-16-7-6-13(20)9-15(16)18(24)25/h3-9,11H,10H2,1-2H3,(H,24,25)(H2,21,22,23,27)