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

Systemtic Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-(4-homoveratryl-3-keto-2-methyl-5H-1,4-benzoxazepin-7-yl)thiophene-2-carboxamide Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC=CS3)CCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C25H26N2O5S/c1-16-25(29)27(11-10-17-6-8-21(30-2)22(13-17)31-3)15-18-14-19(7-9-20(18)32-16)26-24(28)23-5-4-12-33-23/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,26,28)