2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3-cyano-7-methoxy-2-quinolinyl)thio]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3-cyano-7-methoxyquinolin-2-yl)sulfanyl-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-cyano-7-methoxy-2-quinolyl)thio]-N-(5-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H16N4O2S2 MolecularWeight: 420.50734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CSC3=NC4=C(C=CC(=C4)OC)C=C3C#N

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)NC(=O)CSC3=NC4=C(C=CC(=C4)OC)C=C3C#N

InChI

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