2-[(3-bromophenyl)methylsulfanyl]-N-(2-methyl-4-morpholin-4-yl-phenyl)pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methyl-4-morpholin-4-yl-phenyl)pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methyl-4-morpholino-phenyl)pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[2-methyl-4-(4-morpholinyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-(2-methyl-4-morpholin-4-ylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-(2-methyl-4-morpholino-phenyl)nicotinamide Formula: C24H24BrN3O2S MolecularWeight: 498.43526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCOCC2)NC(=O)C3=C(N=CC=C3)SCC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H24BrN3O2S/c1-17-14-20(28-10-12-30-13-11-28)7-8-22(17)27-23(29)21-6-3-9-26-24(21)31-16-18-4-2-5-19(25)15-18/h2-9,14-15H,10-13,16H2,1H3,(H,27,29)