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

Systemtic Name: N-butyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-butyl-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=C(C=C3)C

Isomeric SMILES

CCCCNC(=O)CSC1=NC2=CC=CC=C2N=C1CC3=CC=C(C=C3)C

InChI

InChI=1S/C22H25N3OS/c1-3-4-13-23-21(26)15-27-22-20(14-17-11-9-16(2)10-12-17)24-18-7-5-6-8-19(18)25-22/h5-12H,3-4,13-15H2,1-2H3,(H,23,26)