ethyl 4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,4,5-trichlorophenyl)carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,4,5-trichlorophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H13Cl3N2O2S MolecularWeight: 403.71062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C16H13Cl3N2O2S/c1-2-23-15(22)9-3-5-10(6-4-9)20-16(24)21-14-8-12(18)11(17)7-13(14)19/h3-8H,2H2,1H3,(H2,20,21,24)