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

Systemtic Name: phenethyl 4-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C22H24BrN3O5S/c1-15-13-17(7-8-18(15)23)31-14-20(28)25-26-22(32)24-19(27)9-10-21(29)30-12-11-16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3,(H,25,28)(H2,24,26,27,32)