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

Systemtic Name: 5-benzamido-1-tert-butyl-N-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Openeye Name: 5-benzamido-1-tert-butyl-N-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d]thiazole-3-carboxamide CAS Name: 5-benzamido-1-tert-butyl-N-[3-(1-imidazolyl)propyl]-3-pyrazolo[3,4-d]thiazolecarboxamide IUPAC Name: 5-benzamido-1-tert-butyl-N-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d][1,3]thiazole-3-carboxamide Traditional Name: 5-benzamido-1-tert-butyl-N-(3-imidazol-1-ylpropyl)pyrazolo[3,4-d]thiazole-3-carboxamide Formula: C22H25N7O2S MolecularWeight: 451.5446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)NCCCN3C=CN=C3)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)NCCCN3C=CN=C3)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N7O2S/c1-22(2,3)29-18-17(32-21(25-18)26-19(30)15-8-5-4-6-9-15)16(27-29)20(31)24-10-7-12-28-13-11-23-14-28/h4-6,8-9,11,13-14H,7,10,12H2,1-3H3,(H,24,31)(H,25,26,30)