N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[[(2-methylphenyl)carbonylamino]carbamothioyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(4-nitrophenoxy)acetamide Traditional Name: 2-(4-nitrophenoxy)-N-[(o-toluoylamino)thiocarbamoyl]acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-11-4-2-3-5-14(11)16(23)19-20-17(27)18-15(22)10-26-13-8-6-12(7-9-13)21(24)25/h2-9H,10H2,1H3,(H,19,23)(H2,18,20,22,27)