N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(3-cyano-5,8-dimethyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(3-cyano-5,8-dimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(3-cyano-5,8-dimethyl-2-quinolyl)thio]acetamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

Isomeric SMILES

CC1=C2C=C(C(=NC2=C(C=C1)C)SCC(=O)NC3=C(C=CC(=C3)Cl)OC)C#N

InChI

InChI=1S/C21H18ClN3O2S/c1-12-4-5-13(2)20-16(12)8-14(10-23)21(25-20)28-11-19(26)24-17-9-15(22)6-7-18(17)27-3/h4-9H,11H2,1-3H3,(H,24,26)