2-(4-methylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)butyramide Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC4=CC=CC=C4C(=C3)C

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N)SC3=NC4=CC=CC=C4C(=C3)C

InChI

InChI=1S/C21H20N4O3S3/c1-3-17(29-19-10-12(2)14-6-4-5-7-15(14)23-19)20(26)25-21-24-16-9-8-13(31(22,27)28)11-18(16)30-21/h4-11,17H,3H2,1-2H3,(H2,22,27,28)(H,24,25,26)