N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide CAS Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(4-methyl-5-oxo-2,3-dihydro-1,4-benzoxazepin-7-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(5-keto-4-methyl-2,3-dihydro-1,4-benzoxazepin-7-yl)acetamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)CC(=O)NC2=CC3=C(C=C2)OCCN(C3=O)C

InChI

InChI=1S/C21H24N2O3S/c1-14(2)27-17-7-4-15(5-8-17)12-20(24)22-16-6-9-19-18(13-16)21(25)23(3)10-11-26-19/h4-9,13-14H,10-12H2,1-3H3,(H,22,24)