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

Systemtic Name: N-butyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-butyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-butyl-2-[[3-[(4-chlorophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-butyl-2-[3-[(4-chlorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-butyl-2-[[3-(4-chlorobenzyl)quinoxalin-2-yl]thio]acetamide Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3OS/c1-2-3-12-23-20(26)14-27-21-19(13-15-8-10-16(22)11-9-15)24-17-6-4-5-7-18(17)25-21/h4-11H,2-3,12-14H2,1H3,(H,23,26)