2-chloranyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-5-(trifluoromethyloxy)benzamide

Systemtic Name: 2-chloranyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-5-(trifluoromethyloxy)benzamide Openeye Name: 2-chloro-N-[[2-(1-methylbutyl)phenyl]carbamothioyl]-5-(trifluoromethoxy)benzamide CAS Name: 2-chloro-N-[(2-pentan-2-ylanilino)-sulfanylidenemethyl]-5-(trifluoromethoxy)benzamide IUPAC Name: 2-chloro-N-[(2-pentan-2-ylphenyl)carbamothioyl]-5-(trifluoromethoxy)benzamide Traditional Name: 2-chloro-N-[[2-(1-methylbutyl)phenyl]thiocarbamoyl]-5-(trifluoromethoxy)benzamide Formula: C20H20ClF3N2O2S MolecularWeight: 444.89821

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)OC(F)(F)F)Cl

Isomeric SMILES

CCCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)OC(F)(F)F)Cl

InChI

InChI=1S/C20H20ClF3N2O2S/c1-3-6-12(2)14-7-4-5-8-17(14)25-19(29)26-18(27)15-11-13(9-10-16(15)21)28-20(22,23)24/h4-5,7-12H,3,6H2,1-2H3,(H2,25,26,27,29)