N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F)N(C1=O)CC=C)C

InChI

InChI=1S/C22H23FN2O3S/c1-4-11-25-18-10-7-16(12-19(18)28-14-22(2,3)21(25)27)24-20(26)13-29-17-8-5-15(23)6-9-17/h4-10,12H,1,11,13-14H2,2-3H3,(H,24,26)