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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OC)Br

InChI

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