4-methoxy-3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C15H13N5O5S MolecularWeight: 375.35922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5S/c1-25-12-3-2-10(8-11(12)20(23)24)13(21)17-15(26)19-18-14(22)9-4-6-16-7-5-9/h2-8H,1H3,(H,18,22)(H2,17,19,21,26)