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

Systemtic Name: 4-(4-chloranylphenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: 4-(4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: 4-(4-chlorophenoxy)-N-[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]butanamide IUPAC Name: 4-(4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: 4-(4-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C18H16ClF3N2O2S MolecularWeight: 416.84505

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC(=O)CCCOC2=CC=C(C=C2)Cl)C(F)(F)F

InChI

InChI=1S/C18H16ClF3N2O2S/c19-13-6-8-15(9-7-13)26-10-2-5-16(25)24-17(27)23-14-4-1-3-12(11-14)18(20,21)22/h1,3-4,6-9,11H,2,5,10H2,(H2,23,24,25,27)