3-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[[anilino(sulfanylidene)methyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-(phenylcarbamothioylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-(phenylthiocarbamoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide Formula: C21H16F3N3OS MolecularWeight: 415.43145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H16F3N3OS/c22-21(23,24)15-7-5-11-18(13-15)25-19(28)14-6-4-10-17(12-14)27-20(29)26-16-8-2-1-3-9-16/h1-13H,(H,25,28)(H2,26,27,29)