propyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[(3-nitrophenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[(3-nitrobenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[(3-nitrobenzoyl)amino]thiocarbamoylamino]butyric acid propyl ester Formula: C15H18N4O6S MolecularWeight: 382.39162

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6S/c1-2-8-25-13(21)7-6-12(20)16-15(26)18-17-14(22)10-4-3-5-11(9-10)19(23)24/h3-5,9H,2,6-8H2,1H3,(H,17,22)(H2,16,18,20,26)