ethyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H19Br2N3O5S MolecularWeight: 525.21216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

InChI

InChI=1S/C16H19Br2N3O5S/c1-3-25-14(24)5-4-12(22)19-16(27)21-20-13(23)8-26-15-9(2)6-10(17)7-11(15)18/h6-7H,3-5,8H2,1-2H3,(H,20,23)(H2,19,21,22,27)