N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: N-[[(4-chloranyl-3-nitro-phenyl)carbonylamino]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[(4-chloro-3-nitro-benzoyl)amino]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[(4-chloro-3-nitrobenzoyl)amino]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[(4-chloro-3-nitro-benzoyl)amino]thiocarbamoyl]-4-fluoro-benzamide Formula: C15H10ClFN4O4S MolecularWeight: 396.780703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClFN4O4S/c16-11-6-3-9(7-12(11)21(24)25)14(23)19-20-15(26)18-13(22)8-1-4-10(17)5-2-8/h1-7H,(H,19,23)(H2,18,20,22,26)