N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C23H27FN2O3S MolecularWeight: 430.535483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C23H27FN2O3S/c1-15(2)12-26-19-10-7-17(11-20(19)29-14-23(3,4)22(26)28)25-21(27)13-30-18-8-5-16(24)6-9-18/h5-11,15H,12-14H2,1-4H3,(H,25,27)