N-(3-methylsulfanylphenyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)ethanamide

Systemtic Name: N-(3-methylsulfanylphenyl)-2-(5-oxidanylidenepyrido[2,3-b][1,5]benzoxazepin-6-yl)ethanamide Openeye Name: N-(3-methylsulfanylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide CAS Name: N-[3-(methylthio)phenyl]-2-(5-oxo-6-pyrido[2,3-b][1,5]benzoxazepinyl)acetamide IUPAC Name: N-(3-methylsulfanylphenyl)-2-(5-oxopyrido[2,3-b][1,5]benzoxazepin-6-yl)acetamide Traditional Name: 2-(5-ketopyrido[2,3-b][1,5]benzoxazepin-6-yl)-N-[3-(methylthio)phenyl]acetamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=N4

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CN2C3=CC=CC=C3OC4=C(C2=O)C=CC=N4

InChI

InChI=1S/C21H17N3O3S/c1-28-15-7-4-6-14(12-15)23-19(25)13-24-17-9-2-3-10-18(17)27-20-16(21(24)26)8-5-11-22-20/h2-12H,13H2,1H3,(H,23,25)