N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide

Systemtic Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanamide Openeye Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxo-butanamide CAS Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-[4-(methylthio)phenyl]-4-oxobutanamide IUPAC Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-(4-methylsulfanylphenyl)-4-oxobutanamide Traditional Name: N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-4-keto-4-[4-(methylthio)phenyl]butyramide Formula: C21H25FN2O2S MolecularWeight: 388.498803

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)CCC(=O)C1=CC=C(C=C1)SC)C2=CC(=CC=C2)F

Isomeric SMILES

CN(C)C(CNC(=O)CCC(=O)C1=CC=C(C=C1)SC)C2=CC(=CC=C2)F

InChI

InChI=1S/C21H25FN2O2S/c1-24(2)19(16-5-4-6-17(22)13-16)14-23-21(26)12-11-20(25)15-7-9-18(27-3)10-8-15/h4-10,13,19H,11-12,14H2,1-3H3,(H,23,26)