N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methyl-2-quinoxalinyl)thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylquinoxalin-2-yl)sulfanylacetamide Traditional Name: N-homoveratryl-2-[(3-methylquinoxalin-2-yl)thio]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H23N3O3S/c1-14-21(24-17-7-5-4-6-16(17)23-14)28-13-20(25)22-11-10-15-8-9-18(26-2)19(12-15)27-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)