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

Systemtic Name: 2-methoxyethyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C16H20BrN3O6S MolecularWeight: 462.3155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O6S/c1-24-8-9-25-15(23)7-6-13(21)18-16(27)20-19-14(22)10-26-12-4-2-11(17)3-5-12/h2-5H,6-10H2,1H3,(H,19,22)(H2,18,20,21,27)