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

Systemtic Name: 2-methyl-3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: N-(isonicotinamidothiocarbamoyl)-2-methyl-3-nitro-benzamide Formula: C15H13N5O4S MolecularWeight: 359.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4S/c1-9-11(3-2-4-12(9)20(23)24)14(22)17-15(25)19-18-13(21)10-5-7-16-8-6-10/h2-8H,1H3,(H,18,21)(H2,17,19,22,25)