2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-morpholin-4-ylpyridin-3-yl)ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-(6-morpholin-4-ylpyridin-3-yl)ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-(6-morpholino-3-pyridyl)acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[6-(4-morpholinyl)-3-pyridinyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-(6-morpholin-4-ylpyridin-3-yl)acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-(6-morpholino-3-pyridyl)acetamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NC2=CN=C(C=C2)N3CCOCC3

InChI

InChI=1S/C18H20BrN3O2S/c1-13-10-14(19)2-4-16(13)25-12-18(23)21-15-3-5-17(20-11-15)22-6-8-24-9-7-22/h2-5,10-11H,6-9,12H2,1H3,(H,21,23)