N-butyl-2-(phenoxymethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]indole-5-carboxamide

Systemtic Name: N-butyl-2-(phenoxymethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]indole-5-carboxamide Openeye Name: N-butyl-2-(phenoxymethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]indole-5-carboxamide CAS Name: N-butyl-2-(phenoxymethyl)-1-[[3-(trifluoromethylthio)phenyl]methyl]-5-indolecarboxamide IUPAC Name: N-butyl-2-(phenoxymethyl)-1-[[3-(trifluoromethylsulfanyl)phenyl]methyl]indole-5-carboxamide Traditional Name: N-butyl-2-(phenoxymethyl)-1-[3-(trifluoromethylthio)benzyl]indole-5-carboxamide Formula: C28H27F3N2O2S MolecularWeight: 512.58639

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC2=C(C=C1)N(C(=C2)COC3=CC=CC=C3)CC4=CC(=CC=C4)SC(F)(F)F

Isomeric SMILES

CCCCNC(=O)C1=CC2=C(C=C1)N(C(=C2)COC3=CC=CC=C3)CC4=CC(=CC=C4)SC(F)(F)F

InChI

InChI=1S/C28H27F3N2O2S/c1-2-3-14-32-27(34)21-12-13-26-22(16-21)17-23(19-35-24-9-5-4-6-10-24)33(26)18-20-8-7-11-25(15-20)36-28(29,30)31/h4-13,15-17H,2-3,14,18-19H2,1H3,(H,32,34)