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

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanyl-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)benzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-methylsulfanylbenzamide Traditional Name: N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)-2-(methylthio)benzamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3SC)OCC(C1=O)(C)C

InChI

InChI=1S/C22H26N2O3S/c1-5-12-24-17-11-10-15(13-18(17)27-14-22(2,3)21(24)26)23-20(25)16-8-6-7-9-19(16)28-4/h6-11,13H,5,12,14H2,1-4H3,(H,23,25)