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

Systemtic Name: N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)-2-thiophen-2-yl-ethanamide Openeye Name: N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)-2-(2-thienyl)acetamide CAS Name: N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)-2-thiophen-2-ylacetamide IUPAC Name: N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-2-thiophen-2-ylacetamide Traditional Name: N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)-2-(2-thienyl)acetamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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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=CS4)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)CC4=CC=CS4)C(=O)N2C

InChI

InChI=1S/C21H18N2O3S/c1-13-5-7-19-17(10-13)23(2)21(25)16-11-14(6-8-18(16)26-19)22-20(24)12-15-4-3-9-27-15/h3-11H,12H2,1-2H3,(H,22,24)