N-(2,4-dimethylphenyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethylphenyl)-2-[3-(phenylmethyl)quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide CAS Name: N-(2,4-dimethylphenyl)-2-[[3-(phenylmethyl)-2-quinoxalinyl]thio]acetamide IUPAC Name: 2-(3-benzylquinoxalin-2-yl)sulfanyl-N-(2,4-dimethylphenyl)acetamide Traditional Name: 2-[(3-benzylquinoxalin-2-yl)thio]-N-(2,4-dimethylphenyl)acetamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3OS/c1-17-12-13-20(18(2)14-17)27-24(29)16-30-25-23(15-19-8-4-3-5-9-19)26-21-10-6-7-11-22(21)28-25/h3-14H,15-16H2,1-2H3,(H,27,29)