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

Systemtic Name: N-(4-hexoxyphenyl)-4-[1,1,1-tris(fluoranyl)octan-2-yloxymethyl]benzenecarbothioamide Openeye Name: N-(4-hexoxyphenyl)-4-[1-(trifluoromethyl)heptoxymethyl]benzenecarbothioamide CAS Name: N-(4-hexoxyphenyl)-4-(1,1,1-trifluorooctan-2-yloxymethyl)benzenecarbothioamide IUPAC Name: N-(4-hexoxyphenyl)-4-(1,1,1-trifluorooctan-2-yloxymethyl)benzenecarbothioamide Traditional Name: N-(4-hexoxyphenyl)-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=C(C=C2)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C28H38F3NO2S/c1-3-5-7-9-11-26(28(29,30)31)34-21-22-12-14-23(15-13-22)27(35)32-24-16-18-25(19-17-24)33-20-10-8-6-4-2/h12-19,26H,3-11,20-21H2,1-2H3,(H,32,35)