N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-3-(phenylthio)propanamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-3-(phenylthio)propionamide 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)CCSC4=CC=CC=C4

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CCSC4=CC=CC=C4

InChI

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