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

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C20H19Cl3N2O3S MolecularWeight: 473.80046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCC(=O)NC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C20H19Cl3N2O3S/c21-14-11-16(23)17(12-15(14)22)24-20(29)25-18(26)8-9-19(27)28-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-10H2,(H2,24,25,26,29)