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

Systemtic Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Openeye Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-[2-(trifluoromethyl)phenyl]butanamide IUPAC Name: 2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]butanamide Traditional Name: 2-[[3-(phenylthiocarbamoylamino)phenyl]thio]-N-[2-(trifluoromethyl)phenyl]butyramide Formula: C24H22F3N3OS2 MolecularWeight: 489.57619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(F)(F)F)SC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C24H22F3N3OS2/c1-2-21(22(31)30-20-14-7-6-13-19(20)24(25,26)27)33-18-12-8-11-17(15-18)29-23(32)28-16-9-4-3-5-10-16/h3-15,21H,2H2,1H3,(H,30,31)(H2,28,29,32)