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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-bromanyl-4-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C25H30BrN3O5S MolecularWeight: 564.4918

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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)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O5S/c1-17(2)19-10-11-21(20(26)15-19)34-16-23(31)28-29-25(35)27-22(30)12-13-24(32)33-14-6-9-18-7-4-3-5-8-18/h3-5,7-8,10-11,15,17H,6,9,12-14,16H2,1-2H3,(H,28,31)(H2,27,29,30,35)