N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-phenyl)methyleneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-benzylidene)amino]-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=NNC(=O)CSC2=NC(=CC(=N2)C)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=N/NC(=O)CSC2=NC(=CC(=N2)C)C)OCC

InChI

InChI=1S/C20H25ClN4O3S/c1-5-7-28-19-16(21)9-15(10-17(19)27-6-2)11-22-25-18(26)12-29-20-23-13(3)8-14(4)24-20/h8-11H,5-7,12H2,1-4H3,(H,25,26)/b22-11+