ethyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C15H18BrN3O5S MolecularWeight: 432.28952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O5S/c1-2-23-14(22)8-7-12(20)17-15(25)19-18-13(21)9-24-11-5-3-10(16)4-6-11/h3-6H,2,7-9H2,1H3,(H,18,21)(H2,17,19,20,25)