N-[(4-pentylphenyl)carbamothioyl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[(4-pentylphenyl)carbamothioyl]-4-(trifluoromethyl)benzamide Openeye Name: N-[(4-pentylphenyl)carbamothioyl]-4-(trifluoromethyl)benzamide CAS Name: N-[(4-pentylanilino)-sulfanylidenemethyl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[(4-pentylphenyl)carbamothioyl]-4-(trifluoromethyl)benzamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-4-(trifluoromethyl)benzamide Formula: C20H21F3N2OS MolecularWeight: 394.45375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F3N2OS/c1-2-3-4-5-14-6-12-17(13-7-14)24-19(27)25-18(26)15-8-10-16(11-9-15)20(21,22)23/h6-13H,2-5H2,1H3,(H2,24,25,26,27)