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

Systemtic Name: propyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(3-nitrophenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5S/c1-2-8-22-13(19)7-6-12(18)16-14(23)15-10-4-3-5-11(9-10)17(20)21/h3-5,9H,2,6-8H2,1H3,(H2,15,16,18,23)