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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(2-bromo-4-methylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C23H26BrN3O5S MolecularWeight: 536.43864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26BrN3O5S/c1-16-9-10-19(18(24)14-16)32-15-21(29)26-27-23(33)25-20(28)11-12-22(30)31-13-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-10,14H,5,8,11-13,15H2,1H3,(H,26,29)(H2,25,27,28,33)