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

Systemtic Name: 2-ethylsulfanyl-N-(3,3,5-trimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)benzamide Openeye Name: 2-ethylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide CAS Name: 2-(ethylthio)-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide IUPAC Name: 2-ethylsulfanyl-N-(3,3,5-trimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)benzamide Traditional Name: 2-(ethylthio)-N-(4-keto-3,3,5-trimethyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)C

Isomeric SMILES

CCSC1=CC=CC=C1C(=O)NC2=CC3=C(C=C2)N(C(=O)C(CO3)(C)C)C

InChI

InChI=1S/C21H24N2O3S/c1-5-27-18-9-7-6-8-15(18)19(24)22-14-10-11-16-17(12-14)26-13-21(2,3)20(25)23(16)4/h6-12H,5,13H2,1-4H3,(H,22,24)