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

Systemtic Name: N-butyl-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-butyl-acetamide CAS Name: N-butyl-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-butylacetamide Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-N-butyl-acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3OS/c1-2-3-13-22-20(25)15-26-21-19(14-16-9-5-4-6-10-16)23-17-11-7-8-12-18(17)24-21/h4-12H,2-3,13-15H2,1H3,(H,22,25)