2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide

Systemtic Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 2-(methylthio)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 2-methylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)benzamide Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3SC)N(C1=O)C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3SC)N(C1=O)C)C

InChI

InChI=1S/C20H22N2O3S/c1-20(2)12-25-16-11-13(9-10-15(16)22(3)19(20)24)21-18(23)14-7-5-6-8-17(14)26-4/h5-11H,12H2,1-4H3,(H,21,23)