2-hexoxy-N-phenyl-4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]benzenecarbothioamide

Systemtic Name: 2-hexoxy-N-phenyl-4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]benzenecarbothioamide Openeye Name: 2-hexoxy-N-phenyl-4-[1-(trifluoromethyl)heptoxymethyl]benzenecarbothioamide CAS Name: 2-hexoxy-N-phenyl-4-(1,1,1-trifluorooctan-2-yloxymethyl)benzenecarbothioamide IUPAC Name: 2-hexoxy-N-phenyl-4-(1,1,1-trifluorooctan-2-yloxymethyl)benzenecarbothioamide Traditional Name: 2-hexoxy-N-phenyl-4-[1-(trifluoromethyl)heptoxymethyl]thiobenzamide Formula: C28H38F3NO2S MolecularWeight: 509.66703

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(F)(F)F)OCC1=CC(=C(C=C1)C(=S)NC2=CC=CC=C2)OCCCCCC

Isomeric SMILES

CCCCCCC(C(F)(F)F)OCC1=CC(=C(C=C1)C(=S)NC2=CC=CC=C2)OCCCCCC

InChI

InChI=1S/C28H38F3NO2S/c1-3-5-7-12-16-26(28(29,30)31)34-21-22-17-18-24(25(20-22)33-19-13-8-6-4-2)27(35)32-23-14-10-9-11-15-23/h9-11,14-15,17-18,20,26H,3-8,12-13,16,19,21H2,1-2H3,(H,32,35)