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

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

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CCSC4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CCSC4=CC=CC=C4)C(=O)N2C

InChI

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