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

Systemtic Name: 6-[3-(heptan-4-ylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-allylimino-3-(1-propylbutylideneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(heptan-4-ylideneamino)-2-prop-2-enylimino-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(heptan-4-ylideneamino)-2-prop-2-enylimino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-allylimino-3-(1-propylbutylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c1-4-7-16(8-5-2)24-25-18(14-28-21(25)22-11-6-3)15-9-10-19-17(12-15)23-20(26)13-27-19/h6,9-10,12,14H,3-5,7-8,11,13H2,1-2H3,(H,23,26)