2-bromanyl-N-[4-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[4-(3-oxidanylidene-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(4-allyl-3-oxo-1,4-benzoxazin-6-yl)thiazol-2-yl]-2-bromo-benzamide CAS Name: 2-bromo-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-2-thiazolyl]benzamide IUPAC Name: 2-bromo-N-[4-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]benzamide Traditional Name: N-[4-(4-allyl-3-keto-1,4-benzoxazin-6-yl)thiazol-2-yl]-2-bromo-benzamide Formula: C21H16BrN3O3S MolecularWeight: 470.33904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

C=CCN1C(=O)COC2=C1C=C(C=C2)C3=CSC(=N3)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C21H16BrN3O3S/c1-2-9-25-17-10-13(7-8-18(17)28-11-19(25)26)16-12-29-21(23-16)24-20(27)14-5-3-4-6-15(14)22/h2-8,10,12H,1,9,11H2,(H,23,24,27)