(2-methylsulfanylphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone Openeye Name: (2-methylsulfanylphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]-1-piperidyl]methanone CAS Name: [2-(methylthio)phenyl]-[4-[5-(trifluoromethyl)-1-benzimidazolyl]-1-piperidinyl]methanone IUPAC Name: (2-methylsulfanylphenyl)-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]methanone Traditional Name: [2-(methylthio)phenyl]-[4-[5-(trifluoromethyl)benzimidazol-1-yl]piperidino]methanone Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC(CC2)N3C=NC4=C3C=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3OS/c1-29-19-5-3-2-4-16(19)20(28)26-10-8-15(9-11-26)27-13-25-17-12-14(21(22,23)24)6-7-18(17)27/h2-7,12-13,15H,8-11H2,1H3