N-[4-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[4-[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide Openeye Name: N-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl]sulfanylphenyl]-3,3-dimethyl-butanamide CAS Name: N-[4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]thio]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[4-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylphenyl]-3,3-dimethylbutanamide Traditional Name: N-[4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl]thio]phenyl]-3,3-dimethyl-butyramide Formula: C21H22ClF3N2O2S MolecularWeight: 458.92479

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)(C)CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl

InChI

InChI=1S/C21H22ClF3N2O2S/c1-20(2,3)11-18(28)26-14-5-7-15(8-6-14)30-12-19(29)27-17-10-13(21(23,24)25)4-9-16(17)22/h4-10H,11-12H2,1-3H3,(H,26,28)(H,27,29)