N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide CAS Name: N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-(trifluoromethyl)benzamide Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O2S/c1-2-3-4-12-27-17-10-8-16(9-11-17)24-19(28)25-18(26)14-6-5-7-15(13-14)20(21,22)23/h5-11,13H,2-4,12H2,1H3,(H2,24,25,26,28)