2-[(3-bromophenyl)methylsulfanyl]-N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[[3-[dimethylamino(oxo)methyl]phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[[3-(dimethylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[3-(dimethylcarbamoyl)benzyl]nicotinamide Formula: C23H22BrN3O2S MolecularWeight: 484.40868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrN3O2S/c1-27(2)23(29)18-8-3-6-16(12-18)14-26-21(28)20-10-5-11-25-22(20)30-15-17-7-4-9-19(24)13-17/h3-13H,14-15H2,1-2H3,(H,26,28)