2-(4-fluorophenyl)sulfanyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)ethanamide

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: 2-[(4-fluorophenyl)thio]-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide IUPAC Name: 2-(4-fluorophenyl)sulfanyl-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)F)C(=O)N2

InChI

InChI=1S/C22H17FN2O3S/c1-13-2-8-20-18(10-13)25-22(27)17-11-15(5-9-19(17)28-20)24-21(26)12-29-16-6-3-14(23)4-7-16/h2-11H,12H2,1H3,(H,24,26)(H,25,27)