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

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)SC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C22H21N3OS2/c1-12-8-9-17-18(10-12)28-22(23-17)25-21(26)15(4)27-19-11-14(3)16-7-5-6-13(2)20(16)24-19/h5-11,15H,1-4H3,(H,23,25,26)