N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)acetamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]acetamide Traditional Name: 2-(benzylthio)-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)acetamide Formula: C25H32N2O3S MolecularWeight: 440.59818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)CSCC3=CC=CC=C3)OCC(C1=O)(C)C

InChI

InChI=1S/C25H32N2O3S/c1-18(2)12-13-27-21-11-10-20(14-22(21)30-17-25(3,4)24(27)29)26-23(28)16-31-15-19-8-6-5-7-9-19/h5-11,14,18H,12-13,15-17H2,1-4H3,(H,26,28)