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

Systemtic Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

InChI=1S/C22H21N3O2S2/c1-13-5-4-6-16-14(2)11-20(25-21(13)16)28-10-9-19(26)24-22-23-17-8-7-15(27-3)12-18(17)29-22/h4-8,11-12H,9-10H2,1-3H3,(H,23,24,26)