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

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

Click to see the large picture

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