2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethanoylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(2-methoxyethanoylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[4-[(2-methoxy-1-oxoethyl)amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-[(2-methoxyacetyl)amino]phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[4-[(2-methoxyacetyl)amino]phenyl]nicotinamide Formula: C22H20BrN3O3S MolecularWeight: 486.3815

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

COCC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

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