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

Systemtic Name: phenethyl 4-oxidanylidene-4-[[2,4,5-tris(chloranyl)phenyl]carbamothioylamino]butanoate Openeye Name: phenethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[sulfanylidene-(2,4,5-trichloroanilino)methyl]amino]butanoic acid phenethyl ester IUPAC Name: phenethyl 4-oxo-4-[(2,4,5-trichlorophenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-[(2,4,5-trichlorophenyl)thiocarbamoylamino]butyric acid phenethyl ester Formula: C19H17Cl3N2O3S MolecularWeight: 459.77388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17Cl3N2O3S/c20-13-10-15(22)16(11-14(13)21)23-19(28)24-17(25)6-7-18(26)27-9-8-12-4-2-1-3-5-12/h1-5,10-11H,6-9H2,(H2,23,24,25,28)