N-(1,3-benzothiazol-2-yl)-2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-7,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-7,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7,8-dimethyl-2-quinolyl)thio]acetamide Formula: C21H16N4OS2 MolecularWeight: 404.50794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N)C

InChI

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