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

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholinoethyl)benzamide CAS Name: 4-methylsulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-mesyl-N-[4-(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=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CCN3CCOCC3)C(=O)C4=CC=C(C=C4)S(=O)(=O)C

InChI

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