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

Systemtic Name: 6-[3-(2-methylpropyl)-2-pyridin-3-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-isobutyl-2-(3-pyridylimino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(2-methylpropyl)-2-(3-pyridinylimino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(2-methylpropyl)-2-pyridin-3-ylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-isobutyl-2-(3-pyridylimino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CN1C(=CSC1=NC2=CN=CC=C2)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C20H20N4O2S/c1-13(2)10-24-17(12-27-20(24)22-15-4-3-7-21-9-15)14-5-6-18-16(8-14)23-19(25)11-26-18/h3-9,12-13H,10-11H2,1-2H3,(H,23,25)