3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[(3-nitrophenyl)carbonylcarbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(3-nitrobenzoyl)carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(3-nitrobenzoyl)thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C22H15F3N4O4S MolecularWeight: 488.43911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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