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

Systemtic Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(6-sulfamoyl-1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]propionamide Formula: C22H22N4O3S3 MolecularWeight: 486.63008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)S(=O)(=O)N)C)C

InChI

InChI=1S/C22H22N4O3S3/c1-11-7-13(3)20-16(8-11)12(2)9-19(25-20)30-14(4)21(27)26-22-24-17-6-5-15(32(23,28)29)10-18(17)31-22/h5-10,14H,1-4H3,(H2,23,28,29)(H,24,26,27)