4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-[4-(3-methylphenoxy)-1-oxobutyl]benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-[4-(3-methylphenoxy)butanoyl]benzohydrazide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NNC(=O)C2=CC=C(C=C2)CSC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C25H28N4O3S/c1-17-6-4-7-22(14-17)32-13-5-8-23(30)28-29-24(31)21-11-9-20(10-12-21)16-33-25-26-18(2)15-19(3)27-25/h4,6-7,9-12,14-15H,5,8,13,16H2,1-3H3,(H,28,30)(H,29,31)