3-nitro-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-nitro-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Openeye Name: 3-nitro-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide CAS Name: 3-nitro-N-[[4-[oxo-[3-(trifluoromethyl)anilino]methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]carbamothioyl]benzamide Traditional Name: 3-nitro-N-[[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]thiocarbamoyl]benzamide Formula: C22H15F3N4O4S MolecularWeight: 488.43911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H15F3N4O4S/c23-22(24,25)15-4-2-5-17(12-15)26-19(30)13-7-9-16(10-8-13)27-21(34)28-20(31)14-3-1-6-18(11-14)29(32)33/h1-12H,(H,26,30)(H2,27,28,31,34)