N-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[[2-(trifluoromethyl)phenyl]carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C21H16F3N3O3S2 MolecularWeight: 479.49525

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H16F3N3O3S2/c22-21(23,24)17-8-4-5-9-18(17)26-20(31)25-15-10-12-16(13-11-15)32(29,30)27-19(28)14-6-2-1-3-7-14/h1-13H,(H,27,28)(H2,25,26,31)