methyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H11Cl3N2O3S MolecularWeight: 369.65134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC(=C(C=C1Cl)Cl)Cl

InChI

InChI=1S/C12H11Cl3N2O3S/c1-20-11(19)3-2-10(18)17-12(21)16-9-5-7(14)6(13)4-8(9)15/h4-5H,2-3H2,1H3,(H2,16,17,18,21)