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

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

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(N=CC=C4)SC)C(=O)N2C

InChI

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