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

Systemtic Name: phenethyl 4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H26BrN3O5S MolecularWeight: 536.43864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C23H26BrN3O5S/c1-2-16-8-9-19(18(24)14-16)32-15-21(29)26-27-23(33)25-20(28)10-11-22(30)31-13-12-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15H2,1H3,(H,26,29)(H2,25,27,28,33)