2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)propanamide

Systemtic Name: 2-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)propanamide Openeye Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)propanamide CAS Name: 2-[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]-N-[3-(methylthio)phenyl]propanamide IUPAC Name: 2-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)propanamide Traditional Name: 2-[4-(2-cyano-3-fluoro-phenyl)piperazino]-N-[3-(methylthio)phenyl]propionamide Formula: C21H23FN4OS MolecularWeight: 398.496923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)SC)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)SC)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C21H23FN4OS/c1-15(21(27)24-16-5-3-6-17(13-16)28-2)25-9-11-26(12-10-25)20-8-4-7-19(22)18(20)14-23/h3-8,13,15H,9-12H2,1-2H3,(H,24,27)