2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one

Systemtic Name: 2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one CAS Name: 2-[[(4,8-dimethyl-2-quinolinyl)thio]methyl]-4-pyrimido[2,1-b][1,3]benzothiazolone IUPAC Name: 2-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Traditional Name: 2-[[(4,8-dimethyl-2-quinolyl)thio]methyl]pyrimido[2,1-b][1,3]benzothiazol-4-one Formula: C22H17N3OS2 MolecularWeight: 403.51988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SCC3=CC(=O)N4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C22H17N3OS2/c1-13-6-5-7-16-14(2)10-19(24-21(13)16)27-12-15-11-20(26)25-17-8-3-4-9-18(17)28-22(25)23-15/h3-11H,12H2,1-2H3