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

Systemtic Name: propyl 4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C16H19BrClN3O5S MolecularWeight: 480.76116

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Cl

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)Br)Cl

InChI

InChI=1S/C16H19BrClN3O5S/c1-2-7-25-15(24)6-5-13(22)19-16(27)21-20-14(23)9-26-12-4-3-10(17)8-11(12)18/h3-4,8H,2,5-7,9H2,1H3,(H,20,23)(H2,19,21,22,27)