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

Systemtic Name: N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)ethanamide Openeye Name: 2-(4-isopropylsulfanylphenyl)-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide CAS Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-[4-(propan-2-ylthio)phenyl]acetamide IUPAC Name: N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)-2-(4-propan-2-ylsulfanylphenyl)acetamide Traditional Name: 2-[4-(isopropylthio)phenyl]-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)acetamide Formula: C25H24N2O3S MolecularWeight: 432.53466

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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)N2

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)N2

InChI

InChI=1S/C25H24N2O3S/c1-15(2)31-19-8-5-17(6-9-19)13-24(28)26-18-7-11-22-20(14-18)25(29)27-21-12-16(3)4-10-23(21)30-22/h4-12,14-15H,13H2,1-3H3,(H,26,28)(H,27,29)