ethyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C16H20BrN3O5S MolecularWeight: 446.3161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5S/c1-3-24-15(23)7-6-13(21)18-16(26)20-19-14(22)9-25-11-4-5-12(17)10(2)8-11/h4-5,8H,3,6-7,9H2,1-2H3,(H,19,22)(H2,18,20,21,26)