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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CSC1=CC=CC(=C1)C(=O)N(CCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)S(=O)(=O)C

InChI

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