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

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: 2-(4-fluorophenyl)sulfanyl-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: 2-[(4-fluorophenyl)thio]-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C24H29FN2O3S MolecularWeight: 444.562063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)F)OCC(C1=O)(C)C

InChI

InChI=1S/C24H29FN2O3S/c1-16(2)11-12-27-20-10-7-18(13-21(20)30-15-24(3,4)23(27)29)26-22(28)14-31-19-8-5-17(25)6-9-19/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,26,28)