2-(3-methylphenoxy)-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[[2-(3-nitrophenoxy)ethanoylamino]carbamothioyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[[[2-(3-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]carbamothioyl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[[[2-(3-nitrophenoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c1-12-4-2-6-14(8-12)27-10-16(23)19-18(29)21-20-17(24)11-28-15-7-3-5-13(9-15)22(25)26/h2-9H,10-11H2,1H3,(H,20,24)(H2,19,21,23,29)