N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-chloro-4-fluoro-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-chloro-4-fluorophenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-chloro-4-fluoro-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C14H8ClFN4O5S MolecularWeight: 398.753523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)F

Isomeric SMILES

C1=CC(=C(C=C1NC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)F

InChI

InChI=1S/C14H8ClFN4O5S/c15-11-5-8(1-2-12(11)16)17-14(26)18-13(21)7-3-9(19(22)23)6-10(4-7)20(24)25/h1-6H,(H2,17,18,21,26)