propyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C16H20N4O7S MolecularWeight: 412.4176

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O7S/c1-2-9-26-15(23)8-7-13(21)17-16(28)19-18-14(22)10-27-12-5-3-11(4-6-12)20(24)25/h3-6H,2,7-10H2,1H3,(H,18,22)(H2,17,19,21,28)