N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]acetamide Formula: C25H21N3O3S MolecularWeight: 443.51754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O3S/c1-16-6-8-17(9-7-16)12-21-25(28-20-5-3-2-4-19(20)27-21)32-14-24(29)26-18-10-11-22-23(13-18)31-15-30-22/h2-11,13H,12,14-15H2,1H3,(H,26,29)