N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(5-ethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(5-ethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(5-ethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: N-(5-ethyl-6-keto-benzo[b][1,4]benzoxazepin-8-yl)-2-[4-(isopropylthio)phenyl]acetamide Formula: C26H26N2O3S MolecularWeight: 446.56124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C

Isomeric SMILES

CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C

InChI

InChI=1S/C26H26N2O3S/c1-4-28-22-7-5-6-8-24(22)31-23-14-11-19(16-21(23)26(28)30)27-25(29)15-18-9-12-20(13-10-18)32-17(2)3/h5-14,16-17H,4,15H2,1-3H3,(H,27,29)