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

Systemtic Name: phenethyl 4-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(2-bromo-4-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-isopropyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H28BrN3O5S MolecularWeight: 550.46522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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