6-[3-(cyclohexylmethylideneamino)-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-(cyclohexylmethylideneamino)-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-(cyclohexylmethyleneamino)-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-(cyclohexylmethylideneamino)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-4-thiazolyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-(cyclohexylmethylideneamino)-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-(cyclohexylmethyleneamino)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-4-yl]-4H-1,4-benzoxazin-3-one Formula: C29H30N6O3S MolecularWeight: 542.6519

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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=CC6CCCCC6

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=CC6CCCCC6

InChI

InChI=1S/C29H30N6O3S/c1-19-27(28(37)35(33(19)2)22-11-7-4-8-12-22)32-29-34(30-16-20-9-5-3-6-10-20)24(18-39-29)21-13-14-25-23(15-21)31-26(36)17-38-25/h4,7-8,11-16,18,20H,3,5-6,9-10,17H2,1-2H3,(H,31,36)