N-cyclopropyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: N-cyclopropyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-propanamide CAS Name: N-cyclopropyl-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]propanamide IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropylpropanamide Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-N-cyclopropyl-propionamide Formula: C21H20F3N3OS MolecularWeight: 419.46321

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

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