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

Systemtic Name: 2-chloranyl-4-nitro-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]benzamide Openeye Name: 2-chloro-4-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide CAS Name: 2-chloro-4-nitro-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-4-nitro-N-[(pyridine-4-carbonylamino)carbamothioyl]benzamide Traditional Name: 2-chloro-N-(isonicotinamidothiocarbamoyl)-4-nitro-benzamide Formula: C14H10ClN5O4S MolecularWeight: 379.7783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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