N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-thiophen-2-yl-ethanamide

Systemtic Name: N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2-thiophen-2-yl-ethanamide Openeye Name: N-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-2-(2-thienyl)acetamide CAS Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide IUPAC Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-thiophen-2-ylacetamide Traditional Name: N-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)C(C)CC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)C(C)CC

InChI

InChI=1S/C21H26N2O3S/c1-4-14(3)23-13-15-11-16(22-20(24)12-17-7-6-10-27-17)8-9-19(15)26-18(5-2)21(23)25/h6-11,14,18H,4-5,12-13H2,1-3H3,(H,22,24)