propyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H21Br2N3O5S MolecularWeight: 539.23874

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1C)Br)Br

InChI

InChI=1S/C17H21Br2N3O5S/c1-3-6-26-15(25)5-4-13(23)20-17(28)22-21-14(24)9-27-16-10(2)7-11(18)8-12(16)19/h7-8H,3-6,9H2,1-2H3,(H,21,24)(H2,20,22,23,28)