4-(1H-benzimidazol-2-ylsulfanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-[3-(trifluoromethyl)benzyl]butyramide Formula: C19H18F3N3OS MolecularWeight: 393.42593

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SCCCC(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H18F3N3OS/c20-19(21,22)14-6-3-5-13(11-14)12-23-17(26)9-4-10-27-18-24-15-7-1-2-8-16(15)25-18/h1-3,5-8,11H,4,9-10,12H2,(H,23,26)(H,24,25)