N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CC3=CC=C(C=C3)SC(C)C)OCC(C1=O)(C)C

InChI

InChI=1S/C24H30N2O3S/c1-6-26-20-12-9-18(14-21(20)29-15-24(4,5)23(26)28)25-22(27)13-17-7-10-19(11-8-17)30-16(2)3/h7-12,14,16H,6,13,15H2,1-5H3,(H,25,27)