ethyl 4-[[1-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2,2,2-trichloro-1-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[2,2,2-trichloro-1-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]ethyl]amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2,2,2-trichloro-1-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2,2,2-trichloro-1-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H18Cl5N3O4S MolecularWeight: 573.70462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)COC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C20H18Cl5N3O4S/c1-2-31-17(30)11-3-6-13(7-4-11)26-19(33)28-18(20(23,24)25)27-16(29)10-32-15-8-5-12(21)9-14(15)22/h3-9,18H,2,10H2,1H3,(H,27,29)(H2,26,28,33)