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

Systemtic Name: 6-[2-(4-fluorophenyl)imino-3-(pentan-3-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(1-ethylpropylideneamino)-2-(4-fluorophenyl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-(4-fluorophenyl)imino-3-(pentan-3-ylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(4-fluorophenyl)imino-3-(pentan-3-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(1-ethylpropylideneamino)-2-(4-fluorophenyl)imino-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H21FN4O2S MolecularWeight: 424.491143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NN1C(=CSC1=NC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCC(=O)N4)CC

Isomeric SMILES

CCC(=NN1C(=CSC1=NC2=CC=C(C=C2)F)C3=CC4=C(C=C3)OCC(=O)N4)CC

InChI

InChI=1S/C22H21FN4O2S/c1-3-16(4-2)26-27-19(13-30-22(27)24-17-8-6-15(23)7-9-17)14-5-10-20-18(11-14)25-21(28)12-29-20/h5-11,13H,3-4,12H2,1-2H3,(H,25,28)