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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(4-methoxy-3-oxidanyl-phenyl)methylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(E)-(3-hydroxy-4-methoxy-benzylidene)amino]benzamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NN=CC3=CC(=C(C=C3)OC)O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)N/N=C/C3=CC(=C(C=C3)OC)O)C

InChI

InChI=1S/C22H22N4O3S/c1-14-10-15(2)25-22(24-14)30-13-16-4-7-18(8-5-16)21(28)26-23-12-17-6-9-20(29-3)19(27)11-17/h4-12,27H,13H2,1-3H3,(H,26,28)/b23-12+