6-(3-pentan-2-yl-2-pyridin-3-ylimino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-(3-pentan-2-yl-2-pyridin-3-ylimino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1-methylbutyl)-2-(3-pyridylimino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-pentan-2-yl-2-(3-pyridinylimino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-(3-pentan-2-yl-2-pyridin-3-ylimino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1-methylbutyl)-2-(3-pyridylimino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)N1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CCCC(C)N1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C21H22N4O2S/c1-3-5-14(2)25-18(13-28-21(25)23-16-6-4-9-22-11-16)15-7-8-19-17(10-15)24-20(26)12-27-19/h4,6-11,13-14H,3,5,12H2,1-2H3,(H,24,26)