2-(4-nitrophenoxy)-N-[(2-phenylethanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[(2-phenylethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[[(2-phenylacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[[(2-phenylacetyl)amino]thiocarbamoyl]acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c22-15(10-12-4-2-1-3-5-12)19-20-17(27)18-16(23)11-26-14-8-6-13(7-9-14)21(24)25/h1-9H,10-11H2,(H,19,22)(H2,18,20,23,27)