N-(2,6-diethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-[4-(methylthio)benzyl]piperazino]acetamide Formula: C24H33N3OS MolecularWeight: 411.60332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H33N3OS/c1-4-20-7-6-8-21(5-2)24(20)25-23(28)18-27-15-13-26(14-16-27)17-19-9-11-22(29-3)12-10-19/h6-12H,4-5,13-18H2,1-3H3,(H,25,28)