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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H19N3OS2 MolecularWeight: 393.52506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C21H19N3OS2/c1-12-8-14(3)20-15(9-12)13(2)10-19(24-20)26-11-18(25)23-21-22-16-6-4-5-7-17(16)27-21/h4-10H,11H2,1-3H3,(H,22,23,25)