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

Systemtic Name: N-(3-methylbutyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-isopentyl-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methylbutyl)-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-methylbutyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-isoamyl-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]acetamide Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3OS/c1-16(2)12-13-24-22(27)15-28-23-21(14-18-10-8-17(3)9-11-18)25-19-6-4-5-7-20(19)26-23/h4-11,16H,12-15H2,1-3H3,(H,24,27)