3-phenylpropyl 5-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(4-bromanyl-3-methyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(4-bromo-3-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(4-bromo-3-methylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(4-bromo-3-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H28BrN3O5S MolecularWeight: 550.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

InChI

InChI=1S/C24H28BrN3O5S/c1-17-15-19(12-13-20(17)25)33-16-22(30)27-28-24(34)26-21(29)10-5-11-23(31)32-14-6-9-18-7-3-2-4-8-18/h2-4,7-8,12-13,15H,5-6,9-11,14,16H2,1H3,(H,27,30)(H2,26,28,29,34)