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

Systemtic Name: 2-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[2-(4-chloro-2-methylphenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[2-(4-chloro-2-methyl-phenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C17H14ClIN2O4S MolecularWeight: 504.72653

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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=C2)I)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C17H14ClIN2O4S/c1-9-6-10(18)2-5-14(9)25-8-15(22)21-17(26)20-13-4-3-11(19)7-12(13)16(23)24/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)