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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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