2-(2,5-dimethylphenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenoxy)-N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(2,5-dimethylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(2,5-dimethylphenoxy)-N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(2,5-dimethylphenoxy)-N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O6S/c1-12-3-4-13(2)16(9-12)29-10-17(24)20-19(30)22-21-18(25)11-28-15-7-5-14(6-8-15)23(26)27/h3-9H,10-11H2,1-2H3,(H,21,25)(H2,20,22,24,30)