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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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