N-(2-methylsulfanylphenyl)-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-methylsulfanylphenyl)-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[(4-isopropoxyphenyl)methyl]piperazin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: N-[2-(methylthio)phenyl]-2-[4-[(4-propan-2-yloxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-methylsulfanylphenyl)-2-[4-[(4-propan-2-yloxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-(4-isopropoxybenzyl)piperazino]-N-[2-(methylthio)phenyl]acetamide Formula: C23H31N3O2S MolecularWeight: 413.57614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C23H31N3O2S/c1-18(2)28-20-10-8-19(9-11-20)16-25-12-14-26(15-13-25)17-23(27)24-21-6-4-5-7-22(21)29-3/h4-11,18H,12-17H2,1-3H3,(H,24,27)