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

Systemtic Name: phenethyl 4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C21H21BrClN3O5S MolecularWeight: 542.83054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C21H21BrClN3O5S/c22-15-6-7-17(16(23)12-15)31-13-19(28)25-26-21(32)24-18(27)8-9-20(29)30-11-10-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,25,28)(H2,24,26,27,32)