2-bromanyl-N-[1-[(2-methoxypyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[1-[(2-methoxypyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[(2-methoxy-3-pyridyl)methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[(2-methoxy-3-pyridinyl)methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[(2-methoxypyridin-3-yl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[(2-methoxy-3-pyridyl)methylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C19H22BrN3O3S MolecularWeight: 452.36528

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

COC1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H22BrN3O3S/c1-26-19-13(6-5-10-21-19)12-22-18(25)16(9-11-27-2)23-17(24)14-7-3-4-8-15(14)20/h3-8,10,16H,9,11-12H2,1-2H3,(H,22,25)(H,23,24)