propyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(4-methyl-3-nitro-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(4-methyl-3-nitrophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(4-methyl-3-nitro-phenyl)thiocarbamoylamino]butyric acid propyl ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c1-3-8-23-14(20)7-6-13(19)17-15(24)16-11-5-4-10(2)12(9-11)18(21)22/h4-5,9H,3,6-8H2,1-2H3,(H2,16,17,19,24)