2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide

Systemtic Name: 2-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide Openeye Name: 2-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide CAS Name: 2-[(3-cyano-6-methyl-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide IUPAC Name: 2-(3-cyano-6-methylquinolin-2-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Traditional Name: 2-[(3-cyano-6-methyl-2-quinolyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)SC(=N4)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=CC4=C(C=C3)SC(=N4)C

InChI

InChI=1S/C21H16N4OS2/c1-12-3-5-17-14(7-12)8-15(10-22)21(25-17)27-11-20(26)24-16-4-6-19-18(9-16)23-13(2)28-19/h3-9H,11H2,1-2H3,(H,24,26)