4-chloranyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide

Systemtic Name: 4-chloranyl-N-[(2-pentan-2-ylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Openeye Name: 4-chloro-N-[[2-(1-methylbutyl)phenyl]carbamothioyl]-3-(trifluoromethyl)benzamide CAS Name: 4-chloro-N-[(2-pentan-2-ylanilino)-sulfanylidenemethyl]-3-(trifluoromethyl)benzamide IUPAC Name: 4-chloro-N-[(2-pentan-2-ylphenyl)carbamothioyl]-3-(trifluoromethyl)benzamide Traditional Name: 4-chloro-N-[[2-(1-methylbutyl)phenyl]thiocarbamoyl]-3-(trifluoromethyl)benzamide Formula: C20H20ClF3N2OS MolecularWeight: 428.89881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClF3N2OS/c1-3-6-12(2)14-7-4-5-8-17(14)25-19(28)26-18(27)13-9-10-16(21)15(11-13)20(22,23)24/h4-5,7-12H,3,6H2,1-2H3,(H2,25,26,27,28)