N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-(2-ethyl-4-homoveratryl-3-keto-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C26H28N2O5S MolecularWeight: 480.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C26H28N2O5S/c1-4-20-26(30)28(12-11-17-7-9-22(31-2)23(14-17)32-3)16-18-15-19(8-10-21(18)33-20)27-25(29)24-6-5-13-34-24/h5-10,13-15,20H,4,11-12,16H2,1-3H3,(H,27,29)