N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyloxy)benzamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyloxy)benzamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethoxy)benzamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-3-(trifluoromethoxy)benzamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethoxy)benzamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-3-(trifluoromethoxy)benzamide Formula: C20H21F3N2O2S MolecularWeight: 410.45315

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC(F)(F)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)OC(F)(F)F

InChI

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