2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenethyl-ethanamide Openeye Name: N-phenethyl-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]-N-phenethylacetamide IUPAC Name: 2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-N-phenethylacetamide Traditional Name: 2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]-N-phenethyl-acetamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H25N3OS/c1-19-11-13-21(14-12-19)17-24-26(29-23-10-6-5-9-22(23)28-24)31-18-25(30)27-16-15-20-7-3-2-4-8-20/h2-14H,15-18H2,1H3,(H,27,30)