2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S/c1-25(2,3)18-9-10-21-20(13-18)28(23(29)15-31-21)14-22-27-19(16-32-22)24(30)26-12-11-17-7-5-4-6-8-17/h4-10,13,16H,11-12,14-15H2,1-3H3,(H,26,30)