2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenyl)sulfanyl-N-[(2-morpholino-4-pyridyl)methyl]acetamide CAS Name: 2-[(4-bromo-2-methylphenyl)thio]-N-[[2-(4-morpholinyl)-4-pyridinyl]methyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenyl)sulfanyl-N-[(2-morpholin-4-ylpyridin-4-yl)methyl]acetamide Traditional Name: 2-[(4-bromo-2-methyl-phenyl)thio]-N-[(2-morpholino-4-pyridyl)methyl]acetamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC(=NC=C2)N3CCOCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)SCC(=O)NCC2=CC(=NC=C2)N3CCOCC3

InChI

InChI=1S/C19H22BrN3O2S/c1-14-10-16(20)2-3-17(14)26-13-19(24)22-12-15-4-5-21-18(11-15)23-6-8-25-9-7-23/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,24)