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

Systemtic Name: 2-[(6-tert-butyl-3-oxidanylidene-1,4-benzoxazin-4-yl)methyl]-N-propyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propyl-thiazole-4-carboxamide CAS Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propyl-4-thiazolecarboxamide IUPAC Name: 2-[(6-tert-butyl-3-oxo-1,4-benzoxazin-4-yl)methyl]-N-propyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[(6-tert-butyl-3-keto-1,4-benzoxazin-4-yl)methyl]-N-propyl-thiazole-4-carboxamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-5-8-21-19(25)14-12-27-17(22-14)10-23-15-9-13(20(2,3)4)6-7-16(15)26-11-18(23)24/h6-7,9,12H,5,8,10-11H2,1-4H3,(H,21,25)