N-[(E)-(3-cyano-4,5-dimethoxy-phenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-cyano-4,5-dimethoxy-phenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(3-cyano-4,5-dimethoxy-phenyl)methyleneamino]-2-[(2-methyl-4-quinolyl)sulfanyl]acetamide CAS Name: N-[(E)-(3-cyano-4,5-dimethoxyphenyl)methylideneamino]-2-[(2-methyl-4-quinolinyl)thio]acetamide IUPAC Name: N-[(E)-(3-cyano-4,5-dimethoxyphenyl)methylideneamino]-2-(2-methylquinolin-4-yl)sulfanylacetamide Traditional Name: N-[(E)-(3-cyano-4,5-dimethoxy-benzylidene)amino]-2-[(2-methyl-4-quinolyl)thio]acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)SCC(=O)NN=CC3=CC(=C(C(=C3)C#N)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S/c1-14-8-20(17-6-4-5-7-18(17)25-14)30-13-21(27)26-24-12-15-9-16(11-23)22(29-3)19(10-15)28-2/h4-10,12H,13H2,1-3H3,(H,26,27)/b24-12+