N-(3-chloranyl-4-methoxy-phenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[3-(p-tolylmethyl)quinoxalin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[[3-[(4-methylphenyl)methyl]-2-quinoxalinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]quinoxalin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-[[3-(4-methylbenzyl)quinoxalin-2-yl]thio]acetamide Formula: C25H22ClN3O2S MolecularWeight: 463.97908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)OC)Cl

InChI

InChI=1S/C25H22ClN3O2S/c1-16-7-9-17(10-8-16)13-22-25(29-21-6-4-3-5-20(21)28-22)32-15-24(30)27-18-11-12-23(31-2)19(26)14-18/h3-12,14H,13,15H2,1-2H3,(H,27,30)