2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propionamide Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

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