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

Systemtic Name: 4-ethoxy-3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 4-ethoxy-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 4-ethoxy-3-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethoxy-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 4-ethoxy-N-(isonicotinamidothiocarbamoyl)-3-nitro-benzamide Formula: C16H15N5O5S MolecularWeight: 389.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H15N5O5S/c1-2-26-13-4-3-11(9-12(13)21(24)25)14(22)18-16(27)20-19-15(23)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H,19,23)(H2,18,20,22,27)