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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-(phenylsulfonyl)ethanamide Openeye Name: 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)acetamide CAS Name: 2-(benzenesulfonyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]acetamide IUPAC Name: 2-(benzenesulfonyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide Traditional Name: 2-besyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)acetamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S3/c1-30-17-7-8-19-20(15-17)31-22(23-19)25(10-9-24-11-13-29-14-12-24)21(26)16-32(27,28)18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3