N-(2-dimethylaminoethyl)-N-[2-(phenylmethylsulfanyl)-4-(trifluoromethyl)phenyl]prop-2-enamide

Systemtic Name: N-(2-dimethylaminoethyl)-N-[2-(phenylmethylsulfanyl)-4-(trifluoromethyl)phenyl]prop-2-enamide Openeye Name: N-[2-benzylsulfanyl-4-(trifluoromethyl)phenyl]-N-(2-dimethylaminoethyl)prop-2-enamide CAS Name: N-(2-dimethylaminoethyl)-N-[2-(phenylmethylthio)-4-(trifluoromethyl)phenyl]-2-propenamide IUPAC Name: N-[2-benzylsulfanyl-4-(trifluoromethyl)phenyl]-N-(2-dimethylaminoethyl)prop-2-enamide Traditional Name: N-[2-(benzylthio)-4-(trifluoromethyl)phenyl]-N-(2-dimethylaminoethyl)acrylamide Formula: C21H23F3N2OS MolecularWeight: 408.48033

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=C(C=C(C=C1)C(F)(F)F)SCC2=CC=CC=C2)C(=O)C=C

Isomeric SMILES

CN(C)CCN(C1=C(C=C(C=C1)C(F)(F)F)SCC2=CC=CC=C2)C(=O)C=C

InChI

InChI=1S/C21H23F3N2OS/c1-4-20(27)26(13-12-25(2)3)18-11-10-17(21(22,23)24)14-19(18)28-15-16-8-6-5-7-9-16/h4-11,14H,1,12-13,15H2,2-3H3