4-[3-methoxy-4-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)morpholin-2-yl]methoxy]phenyl]butan-2-one

Systemtic Name: 4-[3-methoxy-4-[[4-(2-quinoxalin-2-ylsulfanylethanoyl)morpholin-2-yl]methoxy]phenyl]butan-2-one Openeye Name: 4-[3-methoxy-4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]phenyl]butan-2-one CAS Name: 4-[3-methoxy-4-[[4-[1-oxo-2-(2-quinoxalinylthio)ethyl]-2-morpholinyl]methoxy]phenyl]-2-butanone IUPAC Name: 4-[3-methoxy-4-[[4-(2-quinoxalin-2-ylsulfanylacetyl)morpholin-2-yl]methoxy]phenyl]butan-2-one Traditional Name: 4-[3-methoxy-4-[[4-[2-(quinoxalin-2-ylthio)acetyl]morpholin-2-yl]methoxy]phenyl]butan-2-one Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC(=C(C=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3)OC

Isomeric SMILES

CC(=O)CCC1=CC(=C(C=C1)OCC2CN(CCO2)C(=O)CSC3=NC4=CC=CC=C4N=C3)OC

InChI

InChI=1S/C26H29N3O5S/c1-18(30)7-8-19-9-10-23(24(13-19)32-2)34-16-20-15-29(11-12-33-20)26(31)17-35-25-14-27-21-5-3-4-6-22(21)28-25/h3-6,9-10,13-14,20H,7-8,11-12,15-17H2,1-2H3