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

Systemtic Name: N-[3-(azepan-1-ylcarbonyl)-1-tert-butyl-pyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Openeye Name: N-[3-(azepane-1-carbonyl)-1-tert-butyl-pyrazolo[3,4-d]thiazol-5-yl]benzamide CAS Name: N-[3-[1-azepanyl(oxo)methyl]-1-tert-butyl-5-pyrazolo[3,4-d]thiazolyl]benzamide IUPAC Name: N-[3-(azepane-1-carbonyl)-1-tert-butylpyrazolo[3,4-d][1,3]thiazol-5-yl]benzamide Traditional Name: N-[3-(azepane-1-carbonyl)-1-tert-butyl-pyrazolo[3,4-d]thiazol-5-yl]benzamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCCCCC3)SC(=N2)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)N1C2=C(C(=N1)C(=O)N3CCCCCC3)SC(=N2)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-22(2,3)27-18-17(16(25-27)20(29)26-13-9-4-5-10-14-26)30-21(23-18)24-19(28)15-11-7-6-8-12-15/h6-8,11-12H,4-5,9-10,13-14H2,1-3H3,(H,23,24,28)