4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methoxy-4-propoxy-phenyl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methoxy-4-propoxy-phenyl)methyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-methoxy-4-propoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(3-methoxy-4-propoxy-benzylidene)amino]benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C)OC

InChI

InChI=1S/C25H28N4O3S/c1-5-12-32-22-11-8-20(14-23(22)31-4)15-26-29-24(30)21-9-6-19(7-10-21)16-33-25-27-17(2)13-18(3)28-25/h6-11,13-15H,5,12,16H2,1-4H3,(H,29,30)/b26-15+