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

Systemtic Name: 2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]thiazole-4-carboxamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CSC(=N1)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CN2C(=O)COC3=C2C=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H29N3O3S/c1-5-6-7-10-23-21(27)16-14-29-19(24-16)12-25-17-11-15(22(2,3)4)8-9-18(17)28-13-20(25)26/h8-9,11,14H,5-7,10,12-13H2,1-4H3,(H,23,27)