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

Systemtic Name: ethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: ethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]butyric acid ethyl ester Formula: C13H13Cl3N2O3S MolecularWeight: 383.67792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13Cl3N2O3S/c1-2-21-12(20)4-3-11(19)18-13(22)17-10-6-8(15)7(14)5-9(10)16/h5-6H,2-4H2,1H3,(H2,17,18,19,22)