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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C24H28BrN3O5S MolecularWeight: 550.46522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2)Br

InChI

InChI=1S/C24H28BrN3O5S/c1-2-17-10-11-20(19(25)15-17)33-16-22(30)27-28-24(34)26-21(29)12-13-23(31)32-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,15H,2,6,9,12-14,16H2,1H3,(H,27,30)(H2,26,28,29,34)