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

Systemtic Name: N-(4-ethoxyphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethoxyphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethoxyphenyl)-2-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(4-ethoxyphenyl)-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]-N-p-phenetyl-acetamide Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O4S/c1-2-33-20-12-10-18(11-13-20)26-24(30)16-34-25-23(27-21-8-3-4-9-22(21)28-25)15-17-6-5-7-19(14-17)29(31)32/h3-14H,2,15-16H2,1H3,(H,26,30)