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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[[3-[(2-methoxyphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-[(2-methoxyphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(3-o-anisylquinoxalin-2-yl)thio]acetamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC=C1CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H21N3O4S/c1-30-21-9-5-2-6-16(21)12-20-25(28-19-8-4-3-7-18(19)27-20)33-14-24(29)26-17-10-11-22-23(13-17)32-15-31-22/h2-11,13H,12,14-15H2,1H3,(H,26,29)