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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[3-[(4-fluorophenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[3-(4-fluorobenzyl)quinoxalin-2-yl]thio]acetamide Formula: C25H22FN3O3S MolecularWeight: 463.523883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3N=C2CC4=CC=C(C=C4)F)OC

InChI

InChI=1S/C25H22FN3O3S/c1-31-22-12-11-18(14-23(22)32-2)27-24(30)15-33-25-21(13-16-7-9-17(26)10-8-16)28-19-5-3-4-6-20(19)29-25/h3-12,14H,13,15H2,1-2H3,(H,27,30)