2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-(phenylmethylsulfanyl)phenyl]ethanamide Openeye Name: N-(2-benzylsulfanylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide CAS Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-[2-(phenylmethylthio)phenyl]acetamide IUPAC Name: N-(2-benzylsulfanylphenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Traditional Name: N-[2-(benzylthio)phenyl]-2-(4-keto-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide Formula: C24H22N2O3S MolecularWeight: 418.50808

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

Isomeric SMILES

C1COC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC=C3SCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O3S/c27-23(16-26-20-11-5-6-12-21(20)29-15-14-24(26)28)25-19-10-4-7-13-22(19)30-17-18-8-2-1-3-9-18/h1-13H,14-17H2,(H,25,27)