4-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-2-chloranyl-benzoate

Systemtic Name: 4-[2-[2,4-bis(chloranyl)phenoxy]ethanoylcarbamothioylamino]-2-chloranyl-benzoate Openeye Name: 2-chloro-4-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 2-chloro-4-[[[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoate IUPAC Name: 2-chloro-4-[[2-(2,4-dichlorophenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 2-chloro-4-[[2-(2,4-dichlorophenoxy)acetyl]thiocarbamoylamino]benzoate Formula: C16H10Cl3N2O4S- MolecularWeight: 432.6856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H11Cl3N2O4S/c17-8-1-4-13(12(19)5-8)25-7-14(22)21-16(26)20-9-2-3-10(15(23)24)11(18)6-9/h1-6H,7H2,(H,23,24)(H2,20,21,22,26)/p-1