6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(heptan-4-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-3-(heptan-4-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-3-(1-propylbutylideneamino)thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-(heptan-4-ylideneamino)-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-3-(heptan-4-ylideneamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-3-(1-propylbutylideneamino)-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5)CCC

Isomeric SMILES

CCCC(=NN1C(=CSC1=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=CC5=C(C=C4)OCC(=O)N5)CCC

InChI

InChI=1S/C29H32N6O3S/c1-5-10-21(11-6-2)32-34-24(20-14-15-25-23(16-20)30-26(36)17-38-25)18-39-29(34)31-27-19(3)33(4)35(28(27)37)22-12-8-7-9-13-22/h7-9,12-16,18H,5-6,10-11,17H2,1-4H3,(H,30,36)