6-[2-(2-fluorophenyl)imino-3-(3-methylbutyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(2-fluorophenyl)imino-3-(3-methylbutyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-fluorophenyl)imino-3-isopentyl-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(2-fluorophenyl)imino-3-(3-methylbutyl)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(2-fluorophenyl)imino-3-(3-methylbutyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-fluorophenyl)imino-3-isoamyl-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H22FN3O2S MolecularWeight: 411.492383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CSC1=NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCC(=O)N4

Isomeric SMILES

CC(C)CCN1C(=CSC1=NC2=CC=CC=C2F)C3=CC4=C(C=C3)OCC(=O)N4

InChI

InChI=1S/C22H22FN3O2S/c1-14(2)9-10-26-19(13-29-22(26)25-17-6-4-3-5-16(17)23)15-7-8-20-18(11-15)24-21(27)12-28-20/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,24,27)