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

Systemtic Name: phenethyl 4-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H23Br2N3O5S MolecularWeight: 601.30812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C22H23Br2N3O5S/c1-14-11-16(23)12-17(24)21(14)32-13-19(29)26-27-22(33)25-18(28)7-8-20(30)31-10-9-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13H2,1H3,(H,26,29)(H2,25,27,28,33)