1-[4-(3-bromanyl-4-methoxy-phenyl)sulfanylphenyl]-2-methyl-2-morpholin-4-yl-propan-1-one

Systemtic Name: 1-[4-(3-bromanyl-4-methoxy-phenyl)sulfanylphenyl]-2-methyl-2-morpholin-4-yl-propan-1-one Openeye Name: 1-[4-(3-bromo-4-methoxy-phenyl)sulfanylphenyl]-2-methyl-2-morpholino-propan-1-one CAS Name: 1-[4-[(3-bromo-4-methoxyphenyl)thio]phenyl]-2-methyl-2-(4-morpholinyl)-1-propanone IUPAC Name: 1-[4-(3-bromo-4-methoxyphenyl)sulfanylphenyl]-2-methyl-2-morpholin-4-ylpropan-1-one Traditional Name: 1-[4-[(3-bromo-4-methoxy-phenyl)thio]phenyl]-2-methyl-2-morpholino-propan-1-one Formula: C21H24BrNO3S MolecularWeight: 450.38916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)OC)Br)N3CCOCC3

Isomeric SMILES

CC(C)(C(=O)C1=CC=C(C=C1)SC2=CC(=C(C=C2)OC)Br)N3CCOCC3

InChI

InChI=1S/C21H24BrNO3S/c1-21(2,23-10-12-26-13-11-23)20(24)15-4-6-16(7-5-15)27-17-8-9-19(25-3)18(22)14-17/h4-9,14H,10-13H2,1-3H3