2-(3-methylphenoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-(3-methylphenoxy)-N-[[(4-nitrophenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: 2-(3-methylphenoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide CAS Name: 2-(3-methylphenoxy)-N-[[[(4-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methylphenoxy)-N-[[(4-nitrobenzoyl)amino]carbamothioyl]acetamide Traditional Name: 2-(3-methylphenoxy)-N-[[(4-nitrobenzoyl)amino]thiocarbamoyl]acetamide Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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