N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-homoveratryl-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]acetamide Formula: C28H29N3O3S MolecularWeight: 487.61316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H29N3O3S/c1-19-8-10-20(11-9-19)16-24-28(31-23-7-5-4-6-22(23)30-24)35-18-27(32)29-15-14-21-12-13-25(33-2)26(17-21)34-3/h4-13,17H,14-16,18H2,1-3H3,(H,29,32)