N-butyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butyl-2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanyl-N-butylacetamide Traditional Name: 2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]-N-butyl-acetamide Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H22F3N3OS/c1-2-3-11-25-19(28)14-29-20-26-17-12-16(21(22,23)24)9-10-18(17)27(20)13-15-7-5-4-6-8-15/h4-10,12H,2-3,11,13-14H2,1H3,(H,25,28)