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

Systemtic Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-4-methylsulfonyl-N-(2-morpholinoethyl)benzamide CAS Name: 4-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)-4-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 4-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=C(C=C4)S(=O)(=O)C

Isomeric SMILES

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

InChI

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