1-tert-butyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide

Systemtic Name: 1-tert-butyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Openeye Name: 1-tert-butyl-3,5-dimethyl-N-(2-morpholino-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide CAS Name: 1-tert-butyl-3,5-dimethyl-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]-4-pyrazolecarboxamide IUPAC Name: 1-tert-butyl-3,5-dimethyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Traditional Name: 1-tert-butyl-3,5-dimethyl-N-(2-morpholino-1,3-benzothiazol-6-yl)pyrazole-4-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)(C)C)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C(C)(C)C)C)C(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C21H27N5O2S/c1-13-18(14(2)26(24-13)21(3,4)5)19(27)22-15-6-7-16-17(12-15)29-20(23-16)25-8-10-28-11-9-25/h6-7,12H,8-11H2,1-5H3,(H,22,27)