methyl 2-[[2,2,2-tris(chloranyl)-1-[(2,4-dichlorophenyl)carbonylamino]ethyl]carbamothioylamino]benzoate

Systemtic Name: methyl 2-[[2,2,2-tris(chloranyl)-1-[(2,4-dichlorophenyl)carbonylamino]ethyl]carbamothioylamino]benzoate Openeye Name: methyl 2-[[2,2,2-trichloro-1-[(2,4-dichlorobenzoyl)amino]ethyl]carbamothioylamino]benzoate CAS Name: 2-[[sulfanylidene-[[2,2,2-trichloro-1-[[(2,4-dichlorophenyl)-oxomethyl]amino]ethyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2,2,2-trichloro-1-[(2,4-dichlorobenzoyl)amino]ethyl]carbamothioylamino]benzoate Traditional Name: 2-[[2,2,2-trichloro-1-[(2,4-dichlorobenzoyl)amino]ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H14Cl5N3O3S MolecularWeight: 529.65206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H14Cl5N3O3S/c1-29-15(28)11-4-2-3-5-13(11)24-17(30)26-16(18(21,22)23)25-14(27)10-7-6-9(19)8-12(10)20/h2-8,16H,1H3,(H,25,27)(H2,24,26,30)