N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-yl-ethanamide Openeye Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-(2-thienyl)acetamide CAS Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide IUPAC Name: N-[2-ethyl-4-[(4-methoxyphenyl)methyl]-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophen-2-ylacetamide Traditional Name: N-(2-ethyl-3-keto-4-p-anisyl-5H-1,4-benzoxazepin-7-yl)-2-(2-thienyl)acetamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CC4=CC=C(C=C4)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)CC3=CC=CS3)CC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H26N2O4S/c1-3-22-25(29)27(15-17-6-9-20(30-2)10-7-17)16-18-13-19(8-11-23(18)31-22)26-24(28)14-21-5-4-12-32-21/h4-13,22H,3,14-16H2,1-2H3,(H,26,28)