N-(2,5-dimethylphenyl)-4-[2-[2-(4-nitrophenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-[2-(4-nitrophenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(2,5-dimethylphenyl)-4-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(4-nitrophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(2,5-dimethylphenyl)-4-keto-4-[N'-[[2-(4-nitrophenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C21H23N5O6S MolecularWeight: 473.50222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O6S/c1-13-3-4-14(2)17(11-13)22-18(27)9-10-19(28)24-25-21(33)23-20(29)12-32-16-7-5-15(6-8-16)26(30)31/h3-8,11H,9-10,12H2,1-2H3,(H,22,27)(H,24,28)(H2,23,25,29,33)