6-[3-(heptan-4-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[3-(heptan-4-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(2-methylallylimino)-3-(1-propylbutylideneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(heptan-4-ylideneamino)-2-(2-methylprop-2-enylimino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(heptan-4-ylideneamino)-2-(2-methylprop-2-enylimino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-(2-methylallylimino)-3-(1-propylbutylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NN1C(=CSC1=NCC(=C)C)C2=CC3=C(C=C2)OCC(=O)N3)CCC

Isomeric SMILES

CCCC(=NN1C(=CSC1=NCC(=C)C)C2=CC3=C(C=C2)OCC(=O)N3)CCC

InChI

InChI=1S/C22H28N4O2S/c1-5-7-17(8-6-2)25-26-19(14-29-22(26)23-12-15(3)4)16-9-10-20-18(11-16)24-21(27)13-28-20/h9-11,14H,3,5-8,12-13H2,1-2,4H3,(H,24,27)