N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[2-(2-methylphenoxy)ethanoylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[2-(2-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[[2-(2-methylphenoxy)acetyl]amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[[[2-(2-methylphenoxy)acetyl]amino]thiocarbamoyl]-2-(4-nitrophenoxy)acetamide Formula: C18H18N4O6S MolecularWeight: 418.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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