2-(4-nitrophenoxy)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-nitrophenoxy)-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-nitrophenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide CAS Name: 2-(4-nitrophenoxy)-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-nitrophenoxy)-N-[(pyridine-4-carbonylamino)carbamothioyl]acetamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-2-(4-nitrophenoxy)acetamide Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O5S/c21-13(9-25-12-3-1-11(2-4-12)20(23)24)17-15(26)19-18-14(22)10-5-7-16-8-6-10/h1-8H,9H2,(H,18,22)(H2,17,19,21,26)