3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide

Systemtic Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Openeye Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-morpholino-1,3-benzothiazol-6-yl)propanamide CAS Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-4-pyrazolyl]-N-[2-(4-morpholinyl)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)propanamide Traditional Name: 3-[1-(2-cyanoethyl)-3,5-dimethyl-pyrazol-4-yl]-N-(2-morpholino-1,3-benzothiazol-6-yl)propionamide Formula: C22H26N6O2S MolecularWeight: 438.54584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1CCC#N)C)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)N4CCOCC4

InChI

InChI=1S/C22H26N6O2S/c1-15-18(16(2)28(26-15)9-3-8-23)5-7-21(29)24-17-4-6-19-20(14-17)31-22(25-19)27-10-12-30-13-11-27/h4,6,14H,3,5,7,9-13H2,1-2H3,(H,24,29)