N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C22H28FN3OS MolecularWeight: 401.540623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)CSC2=CC=C(C=C2)F)N3CCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)CSC2=CC=C(C=C2)F)N3CCCC3

InChI

InChI=1S/C22H28FN3OS/c1-25(2)19-9-5-17(6-10-19)21(26-13-3-4-14-26)15-24-22(27)16-28-20-11-7-18(23)8-12-20/h5-12,21H,3-4,13-16H2,1-2H3,(H,24,27)