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

Systemtic Name: 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-5-bromanyl-benzoic acid Openeye Name: 5-bromo-2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid CAS Name: 5-bromo-2-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoic acid Traditional Name: 5-bromo-2-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoic acid Formula: C16H11BrCl2N2O4S MolecularWeight: 478.14454

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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)Br)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrCl2N2O4S/c17-8-1-3-12(10(5-8)15(23)24)20-16(26)21-14(22)7-25-13-4-2-9(18)6-11(13)19/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)