N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)CC3=CC=CS3)OCC(C1=O)(C)C

InChI

InChI=1S/C22H28N2O3S/c1-15(2)9-10-24-18-12-16(23-20(25)13-17-6-5-11-28-17)7-8-19(18)27-14-22(3,4)21(24)26/h5-8,11-12,15H,9-10,13-14H2,1-4H3,(H,23,25)