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

Systemtic Name: N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(p-tolylmethyl)-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-[(4-methylphenyl)methyl]-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(4-methylbenzyl)-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]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)NCC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C26H25N3OS/c1-18-7-11-20(12-8-18)15-24-26(29-23-6-4-3-5-22(23)28-24)31-17-25(30)27-16-21-13-9-19(2)10-14-21/h3-14H,15-17H2,1-2H3,(H,27,30)