methyl 4-[[2,2,2-tris(chloranyl)-1-(furan-2-ylcarbonylamino)ethyl]carbamothioylamino]benzoate

Systemtic Name: methyl 4-[[2,2,2-tris(chloranyl)-1-(furan-2-ylcarbonylamino)ethyl]carbamothioylamino]benzoate Openeye Name: methyl 4-[[2,2,2-trichloro-1-(furan-2-carbonylamino)ethyl]carbamothioylamino]benzoate CAS Name: 4-[[sulfanylidene-[[2,2,2-trichloro-1-[[2-furanyl(oxo)methyl]amino]ethyl]amino]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2,2,2-trichloro-1-(furan-2-carbonylamino)ethyl]carbamothioylamino]benzoate Traditional Name: 4-[[2,2,2-trichloro-1-(2-furoylamino)ethyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C16H14Cl3N3O4S MolecularWeight: 450.72406

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CO2

InChI

InChI=1S/C16H14Cl3N3O4S/c1-25-13(24)9-4-6-10(7-5-9)20-15(27)22-14(16(17,18)19)21-12(23)11-3-2-8-26-11/h2-8,14H,1H3,(H,21,23)(H2,20,22,27)