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

Systemtic Name: N-butyl-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[3-[(3-nitrophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-butyl-2-[3-[(3-nitrophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[3-(3-nitrobenzyl)quinoxalin-2-yl]thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O3S/c1-2-3-11-22-20(26)14-29-21-19(23-17-9-4-5-10-18(17)24-21)13-15-7-6-8-16(12-15)25(27)28/h4-10,12H,2-3,11,13-14H2,1H3,(H,22,26)