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

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-(6-sulfamoyl-1,3-benzothiazol-2-yl)propionamide Formula: C20H18N4O3S3 MolecularWeight: 458.57692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C20H18N4O3S3/c1-11-9-18(22-15-6-4-3-5-14(11)15)28-12(2)19(25)24-20-23-16-8-7-13(30(21,26)27)10-17(16)29-20/h3-10,12H,1-2H3,(H2,21,26,27)(H,23,24,25)