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

Systemtic Name: methyl 4-[[2-[2,4-bis(bromanyl)phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C14H15Br2N3O5S MolecularWeight: 497.159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Br2N3O5S/c1-23-13(22)5-4-11(20)17-14(25)19-18-12(21)7-24-10-3-2-8(15)6-9(10)16/h2-3,6H,4-5,7H2,1H3,(H,18,21)(H2,17,19,20,25)