N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)acetamide Traditional Name: 2-(benzylthio)-N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c1-2-26-20-10-6-7-11-22(20)29-21-13-12-18(14-19(21)24(26)28)25-23(27)16-30-15-17-8-4-3-5-9-17/h3-14H,2,15-16H2,1H3,(H,25,27)