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

Systemtic Name: 6-[3-(cyclooctylideneamino)-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-(cyclooctylideneamino)-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-thiazol-4-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-(cyclooctylideneamino)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(cyclooctylideneamino)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-(cyclooctylideneamino)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C30H32N6O3S MolecularWeight: 556.67848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC5=C(C=C4)OCC(=O)N5)N=C6CCCCCCC6

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC5=C(C=C4)OCC(=O)N5)N=C6CCCCCCC6

InChI

InChI=1S/C30H32N6O3S/c1-20-28(29(38)36(34(20)2)23-13-9-6-10-14-23)32-30-35(33-22-11-7-4-3-5-8-12-22)25(19-40-30)21-15-16-26-24(17-21)31-27(37)18-39-26/h6,9-10,13-17,19H,3-5,7-8,11-12,18H2,1-2H3,(H,31,37)