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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-7-methoxy-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-methoxy-2-quinolyl)sulfanyl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-methoxy-2-quinolinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(3-cyano-7-methoxyquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(3-cyano-7-methoxy-2-quinolyl)thio]acetamide Formula: C20H14N4O2S2 MolecularWeight: 406.48076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=N2)SCC(=O)NC3=NC4=CC=CC=C4S3)C#N

InChI

InChI=1S/C20H14N4O2S2/c1-26-14-7-6-12-8-13(10-21)19(22-16(12)9-14)27-11-18(25)24-20-23-15-4-2-3-5-17(15)28-20/h2-9H,11H2,1H3,(H,23,24,25)