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

Systemtic Name: 4-chloranyl-N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Openeye Name: 4-chloro-N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide CAS Name: 4-chloro-N-[(4-pentoxyanilino)-sulfanylidenemethyl]-3-(trifluoromethyl)benzamide IUPAC Name: 4-chloro-N-[(4-pentoxyphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-4-chloro-3-(trifluoromethyl)benzamide Formula: C20H20ClF3N2O2S MolecularWeight: 444.89821

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N2O2S/c1-2-3-4-11-28-15-8-6-14(7-9-15)25-19(29)26-18(27)13-5-10-17(21)16(12-13)20(22,23)24/h5-10,12H,2-4,11H2,1H3,(H2,25,26,27,29)