2-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)ethanamide

Systemtic Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)acetamide CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethylpyrazol-1-yl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)acetamide Formula: C21H27N5O2S2 MolecularWeight: 445.60138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC)C

Isomeric SMILES

CC1=CC(=NN1CC(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)SC)C

InChI

InChI=1S/C21H27N5O2S2/c1-15-12-16(2)26(23-15)14-20(27)25(7-6-24-8-10-28-11-9-24)21-22-18-5-4-17(29-3)13-19(18)30-21/h4-5,12-13H,6-11,14H2,1-3H3