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

Systemtic Name: 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-5-iodanyl-benzoic acid Openeye Name: 2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]-5-iodo-benzoic acid CAS Name: 2-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-5-iodobenzoic acid IUPAC Name: 2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]-5-iodobenzoic acid Traditional Name: 2-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]-5-iodo-benzoic acid Formula: C16H11Cl2IN2O4S MolecularWeight: 525.14501

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC(=S)NC2=C(C=C(C=C2)I)C(=O)O

InChI

InChI=1S/C16H11Cl2IN2O4S/c17-8-1-4-13(11(18)5-8)25-7-14(22)21-16(26)20-12-3-2-9(19)6-10(12)15(23)24/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)