2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C22H18F3N3OS2 MolecularWeight: 461.52303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18F3N3OS2/c23-22(24,25)15-6-4-9-17(12-15)26-20(29)14-31-19-11-5-10-18(13-19)28-21(30)27-16-7-2-1-3-8-16/h1-13H,14H2,(H,26,29)(H2,27,28,30)