2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-quinolin-8-yl-ethanamide

Systemtic Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-quinolin-8-yl-ethanamide Openeye Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-(8-quinolyl)acetamide CAS Name: 2-[4-[[2-(tert-butylthio)phenyl]methyl]-1-piperazinyl]-N-(8-quinolinyl)acetamide IUPAC Name: 2-[4-[(2-tert-butylsulfanylphenyl)methyl]piperazin-1-yl]-N-quinolin-8-ylacetamide Traditional Name: 2-[4-[2-(tert-butylthio)benzyl]piperazino]-N-(8-quinolyl)acetamide Formula: C26H32N4OS MolecularWeight: 448.62348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C)(C)SC1=CC=CC=C1CN2CCN(CC2)CC(=O)NC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C26H32N4OS/c1-26(2,3)32-23-12-5-4-8-21(23)18-29-14-16-30(17-15-29)19-24(31)28-22-11-6-9-20-10-7-13-27-25(20)22/h4-13H,14-19H2,1-3H3,(H,28,31)