3-phenylpropyl 5-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H26BrN3O5S MolecularWeight: 536.43864

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

InChI

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