N-(4-methylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]piperazin-1-yl]ethanamide Openeye Name: 2-[4-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]piperazin-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-[2-(4-methylquinolin-2-yl)sulfanylacetyl]piperazin-1-yl]acetamide Traditional Name: 2-[4-[2-[(4-methyl-2-quinolyl)thio]acetyl]piperazino]-N-(p-tolyl)acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C25H28N4O2S/c1-18-7-9-20(10-8-18)26-23(30)16-28-11-13-29(14-12-28)25(31)17-32-24-15-19(2)21-5-3-4-6-22(21)27-24/h3-10,15H,11-14,16-17H2,1-2H3,(H,26,30)