4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide

Systemtic Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholinoethyl)butanamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-[2-(4-morpholinyl)ethyl]butanamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)butanamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(2-morpholinoethyl)butyramide Formula: C24H28ClN3O4S3 MolecularWeight: 554.14482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClN3O4S3/c1-33-19-6-9-21-22(17-19)34-24(26-21)28(11-10-27-12-14-32-15-13-27)23(29)3-2-16-35(30,31)20-7-4-18(25)5-8-20/h4-9,17H,2-3,10-16H2,1H3