5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide

Systemtic Name: 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Openeye Name: 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[3,4-d]thiazole-3-carboxamide CAS Name: 5-benzamido-1-tert-butyl-N-[[4-(1-imidazolyl)phenyl]methyl]-3-pyrazolo[3,4-d]thiazolecarboxamide IUPAC Name: 5-benzamido-1-tert-butyl-N-[(4-imidazol-1-ylphenyl)methyl]pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Traditional Name: 5-benzamido-1-tert-butyl-N-(4-imidazol-1-ylbenzyl)pyrazolo[3,4-d]thiazole-3-carboxamide Formula: C26H25N7O2S MolecularWeight: 499.5874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4)SC(=N2)NC(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)NCC3=CC=C(C=C3)N4C=CN=C4)SC(=N2)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H25N7O2S/c1-26(2,3)33-22-21(36-25(29-22)30-23(34)18-7-5-4-6-8-18)20(31-33)24(35)28-15-17-9-11-19(12-10-17)32-14-13-27-16-32/h4-14,16H,15H2,1-3H3,(H,28,35)(H,29,30,34)