N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-2-(methylthio)nicotinamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C22H19N3O3S/c1-3-25-17-8-4-5-9-19(17)28-18-11-10-14(13-16(18)22(25)27)24-20(26)15-7-6-12-23-21(15)29-2/h4-13H,3H2,1-2H3,(H,24,26)