N-(2-ethyl-6-methyl-phenyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethyl-6-methyl-phenyl)acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2-ethyl-6-methylphenyl)acetamide Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-N-(2-ethyl-6-methyl-phenyl)acetamide Formula: C26H25N3OS MolecularWeight: 427.5612

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4)C

InChI

InChI=1S/C26H25N3OS/c1-3-20-13-9-10-18(2)25(20)29-24(30)17-31-26-23(16-19-11-5-4-6-12-19)27-21-14-7-8-15-22(21)28-26/h4-15H,3,16-17H2,1-2H3,(H,29,30)