N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxidanylidene-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(1,1-dimethylpropyl)-3-oxo-1,4-benzoxazin-4-yl]methyl]thiazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[(6-tert-amyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-homoveratryl-thiazole-4-carboxamide Formula: C28H33N3O5S MolecularWeight: 523.64372

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC3=NC(=CS3)C(=O)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C28H33N3O5S/c1-6-28(2,3)19-8-10-22-21(14-19)31(26(32)16-36-22)15-25-30-20(17-37-25)27(33)29-12-11-18-7-9-23(34-4)24(13-18)35-5/h7-10,13-14,17H,6,11-12,15-16H2,1-5H3,(H,29,33)