2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-[2-(methylthio)phenyl]propanamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-[2-(methylthio)phenyl]propionamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H27N3O2S/c1-16(22(27)23-20-6-4-5-7-21(20)28-3)24-12-14-25(15-13-24)19-10-8-18(9-11-19)17(2)26/h4-11,16H,12-15H2,1-3H3,(H,23,27)