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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(phenylthio)propanamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(phenylthio)propionamide Formula: C23H20N2O3S MolecularWeight: 404.4815

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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)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CCSC4=CC=CC=C4)C(=O)N2

InChI

InChI=1S/C23H20N2O3S/c1-15-7-9-21-19(13-15)25-23(27)18-14-16(8-10-20(18)28-21)24-22(26)11-12-29-17-5-3-2-4-6-17/h2-10,13-14H,11-12H2,1H3,(H,24,26)(H,25,27)