4-methyl-N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide

Systemtic Name: 4-methyl-N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Openeye Name: 4-methyl-N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide CAS Name: 4-methyl-N-[(4-pentylanilino)-sulfanylidenemethyl]-3-(trifluoromethyl)benzamide IUPAC Name: 4-methyl-N-[(4-pentylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(4-amylphenyl)thiocarbamoyl]-4-methyl-3-(trifluoromethyl)benzamide Formula: C21H23F3N2OS MolecularWeight: 408.48033

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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)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23F3N2OS/c1-3-4-5-6-15-8-11-17(12-9-15)25-20(28)26-19(27)16-10-7-14(2)18(13-16)21(22,23)24/h7-13H,3-6H2,1-2H3,(H2,25,26,27,28)