propyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2-methoxy-5-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2-methoxy-5-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(2-methoxy-5-nitro-phenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O6S/c1-3-8-24-14(20)7-6-13(19)17-15(25)16-11-9-10(18(21)22)4-5-12(11)23-2/h4-5,9H,3,6-8H2,1-2H3,(H2,16,17,19,25)