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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC(=O)NC3=NC4=CC=CC=C4S3

InChI

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