N-[1-tert-butyl-3-(4-phenylpiperazin-1-yl)carbonyl-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide

Systemtic Name: N-[1-tert-butyl-3-(4-phenylpiperazin-1-yl)carbonyl-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Openeye Name: N-[1-tert-butyl-3-(4-phenylpiperazine-1-carbonyl)pyrazolo[3,4-d]thiazol-5-yl]benzamide CAS Name: N-[1-tert-butyl-3-[oxo-(4-phenyl-1-piperazinyl)methyl]-5-pyrazolo[3,4-d]thiazolyl]benzamide IUPAC Name: N-[1-tert-butyl-3-(4-phenylpiperazine-1-carbonyl)pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Traditional Name: N-[1-tert-butyl-3-(4-phenylpiperazine-1-carbonyl)pyrazolo[3,4-d]thiazol-5-yl]benzamide Formula: C26H28N6O2S MolecularWeight: 488.60452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4)SC(=N2)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCN(CC3)C4=CC=CC=C4)SC(=N2)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H28N6O2S/c1-26(2,3)32-22-21(35-25(27-22)28-23(33)18-10-6-4-7-11-18)20(29-32)24(34)31-16-14-30(15-17-31)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3,(H,27,28,33)