3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[[(E)-3-(2-thienyl)prop-2-enoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[[[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]amino]-sulfanylidenemethyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[[(E)-3-thiophen-2-ylprop-2-enoyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[[(E)-3-(2-thienyl)acryloyl]thiocarbamoylamino]-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C22H16F3N3O2S2 MolecularWeight: 475.50655

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)C=CC2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)/C=C/C2=CC=CS2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O2S2/c23-22(24,25)15-5-2-7-17(13-15)26-20(30)14-4-1-6-16(12-14)27-21(31)28-19(29)10-9-18-8-3-11-32-18/h1-13H,(H,26,30)(H2,27,28,29,31)/b10-9+