2-[(3-bromophenyl)methylsulfanyl]-N-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-[2-(methylamino)-2-oxidanylidene-ethoxy]phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-[2-(methylamino)-2-oxo-ethoxy]phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[3-[2-keto-2-(methylamino)ethoxy]phenyl]nicotinamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CNC(=O)COC1=CC=CC(=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H20BrN3O3S/c1-24-20(27)13-29-18-8-3-7-17(12-18)26-21(28)19-9-4-10-25-22(19)30-14-15-5-2-6-16(23)11-15/h2-12H,13-14H2,1H3,(H,24,27)(H,26,28)