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

Systemtic Name: 2-(3-cyano-6-methoxy-quinolin-2-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)ethanamide Openeye Name: 2-[(3-cyano-6-methoxy-2-quinolyl)sulfanyl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide CAS Name: 2-[(3-cyano-6-methoxy-2-quinolinyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide IUPAC Name: 2-(3-cyano-6-methoxyquinolin-2-yl)sulfanyl-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Traditional Name: 2-[(3-cyano-6-methoxy-2-quinolyl)thio]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)OC)C=C3C#N

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)OC)C=C3C#N

InChI

InChI=1S/C21H16N4O2S2/c1-12-23-18-9-15(3-6-19(18)29-12)24-20(26)11-28-21-14(10-22)7-13-8-16(27-2)4-5-17(13)25-21/h3-9H,11H2,1-2H3,(H,24,26)