4-(4-tert-butylphenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C22H25F3N2O2S MolecularWeight: 438.50631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O2S/c1-21(2,3)15-9-11-18(12-10-15)29-13-5-8-19(28)27-20(30)26-17-7-4-6-16(14-17)22(23,24)25/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H2,26,27,28,30)