2-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[2-(3,5-dimethylphenoxy)acetyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C18H16I2N2O4S MolecularWeight: 610.20458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC(=S)NC2=C(C=C(C=C2C(=O)O)I)I)C

InChI

InChI=1S/C18H16I2N2O4S/c1-9-3-10(2)5-12(4-9)26-8-15(23)21-18(27)22-16-13(17(24)25)6-11(19)7-14(16)20/h3-7H,8H2,1-2H3,(H,24,25)(H2,21,22,23,27)