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

Systemtic Name: 4-chloranyl-3-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 4-chloro-3-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 4-chloro-N-(isonicotinamidothiocarbamoyl)-3-nitro-benzamide Formula: C14H10ClN5O4S MolecularWeight: 379.7783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC(=S)NNC(=O)C2=CC=NC=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H10ClN5O4S/c15-10-2-1-9(7-11(10)20(23)24)12(21)17-14(25)19-18-13(22)8-3-5-16-6-4-8/h1-7H,(H,18,22)(H2,17,19,21,25)