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

Systemtic Name: 2-methoxyethyl 4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 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 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 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 2-methoxyethyl ester Formula: C18H24BrN3O6S MolecularWeight: 490.36866

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCOC)Br

InChI

InChI=1S/C18H24BrN3O6S/c1-3-12-4-5-14(13(19)10-12)28-11-16(24)21-22-18(29)20-15(23)6-7-17(25)27-9-8-26-2/h4-5,10H,3,6-9,11H2,1-2H3,(H,21,24)(H2,20,22,23,29)