N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(2-morpholinoethyl)benzamide CAS Name: 2-methylsulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-2-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 2-mesyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)benzamide 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)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C22H25N3O4S3/c1-30-16-7-8-18-19(15-16)31-22(23-18)25(10-9-24-11-13-29-14-12-24)21(26)17-5-3-4-6-20(17)32(2,27)28/h3-8,15H,9-14H2,1-2H3