2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide Openeye Name: 2-bromo-N-[3-methylsulfanyl-1-(2-pyridylmethylcarbamoyl)propyl]benzamide CAS Name: 2-bromo-N-[4-(methylthio)-1-oxo-1-(2-pyridinylmethylamino)butan-2-yl]benzamide IUPAC Name: 2-bromo-N-[4-methylsulfanyl-1-oxo-1-(pyridin-2-ylmethylamino)butan-2-yl]benzamide Traditional Name: 2-bromo-N-[3-(methylthio)-1-(2-pyridylmethylcarbamoyl)propyl]benzamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CSCCC(C(=O)NCC1=CC=CC=N1)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H20BrN3O2S/c1-25-11-9-16(18(24)21-12-13-6-4-5-10-20-13)22-17(23)14-7-2-3-8-15(14)19/h2-8,10,16H,9,11-12H2,1H3,(H,21,24)(H,22,23)