N-(2,6-dimethylphenyl)-2-[4-(2-quinolin-2-ylsulfanylethanoyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolin-2-ylsulfanylethanoyl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-quinolylsulfanyl)acetyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-quinolinylthio)ethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolin-2-ylsulfanylacetyl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-quinolylthio)acetyl]piperazino]acetamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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