N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-isopropylsulfanylphenyl)acetamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=C(C=C4)SC(C)C)C(=O)N2C

InChI

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