2-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide

Systemtic Name: 2-[1,3-benzothiazol-2-yl-(3,5-dimethylphenyl)amino]-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)ethanamide Openeye Name: 2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)acetamide CAS Name: 2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)acetamide IUPAC Name: 2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethylanilino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide Traditional Name: 2-[N-(1,3-benzothiazol-2-yl)-3,5-dimethyl-anilino]-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)acetamide Formula: C28H27N5O2S MolecularWeight: 497.61128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C28H27N5O2S/c1-18-14-19(2)16-22(15-18)32(28-29-23-12-8-9-13-24(23)36-28)17-25(34)30-26-20(3)31(4)33(27(26)35)21-10-6-5-7-11-21/h5-16H,17H2,1-4H3,(H,30,34)