2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid

Systemtic Name: 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]-3,5-bis(iodanyl)benzoic acid Openeye Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]-3,5-diiodo-benzoic acid CAS Name: 2-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-3,5-diiodobenzoic acid IUPAC Name: 2-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-3,5-diiodobenzoic acid Traditional Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]thiocarbamoylamino]-3,5-diiodo-benzoic acid Formula: C17H13ClI2N2O4S MolecularWeight: 630.62306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClI2N2O4S/c1-8-4-9(18)2-3-13(8)26-7-14(23)21-17(27)22-15-11(16(24)25)5-10(19)6-12(15)20/h2-6H,7H2,1H3,(H,24,25)(H2,21,22,23,27)