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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-methylsulfonyl-N-(2-morpholinoethyl)benzamide CAS Name: 3-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)-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 3-mesyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)benzamide Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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