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

Systemtic Name: ethyl 4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,4-dibromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H17Br2N3O5S MolecularWeight: 511.18558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Br

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Br

InChI

InChI=1S/C15H17Br2N3O5S/c1-2-24-14(23)6-5-12(21)18-15(26)20-19-13(22)8-25-11-4-3-9(16)7-10(11)17/h3-4,7H,2,5-6,8H2,1H3,(H,19,22)(H2,18,20,21,26)