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

Systemtic Name: N-(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(phenylthio)propanamide IUPAC Name: N-(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)-3-(phenylthio)propionamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

InChI

InChI=1S/C22H18N2O3S/c25-21(12-13-28-16-6-2-1-3-7-16)23-15-10-11-19-17(14-15)22(26)24-18-8-4-5-9-20(18)27-19/h1-11,14H,12-13H2,(H,23,25)(H,24,26)