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

Systemtic Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: 2-[4-(propan-2-ylthio)phenyl]-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide IUPAC Name: 2-(4-propan-2-ylsulfanylphenyl)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)C

InChI

InChI=1S/C23H28N2O3S/c1-15(2)29-18-9-6-16(7-10-18)12-21(26)24-17-8-11-19-20(13-17)28-14-23(3,4)22(27)25(19)5/h6-11,13,15H,12,14H2,1-5H3,(H,24,26)