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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)ethanamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-morpholinoethyl)acetamide CAS Name: 2-(4-methylsulfonylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-(4-methylsulfonylphenyl)-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-(4-mesylphenyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)acetamide Formula: C23H27N3O4S3 MolecularWeight: 505.67318

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)CC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H27N3O4S3/c1-31-18-5-8-20-21(16-18)32-23(24-20)26(10-9-25-11-13-30-14-12-25)22(27)15-17-3-6-19(7-4-17)33(2,28)29/h3-8,16H,9-15H2,1-2H3