3-phenylpropyl 5-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[(3-nitrobenzoyl)amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[(3-nitrobenzoyl)amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-keto-5-[[(3-nitrobenzoyl)amino]thiocarbamoylamino]valeric acid 3-phenylpropyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c27-19(12-5-13-20(28)32-14-6-9-16-7-2-1-3-8-16)23-22(33)25-24-21(29)17-10-4-11-18(15-17)26(30)31/h1-4,7-8,10-11,15H,5-6,9,12-14H2,(H,24,29)(H2,23,25,27,33)