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

Systemtic Name: propyl 4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H24BrN3O5S MolecularWeight: 474.36926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24BrN3O5S/c1-3-9-26-17(25)8-7-15(23)20-18(28)22-21-16(24)11-27-14-6-5-12(4-2)10-13(14)19/h5-6,10H,3-4,7-9,11H2,1-2H3,(H,21,24)(H2,20,22,23,28)