N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-hexoxy-benzohydrazide

Systemtic Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoyl]-4-hexoxy-benzohydrazide Openeye Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-hexoxy-benzohydrazide CAS Name: N'-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-1-oxoethyl]-4-hexoxybenzohydrazide IUPAC Name: N'-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]-4-hexoxybenzohydrazide Traditional Name: N'-[2-[(4,6-dimethylpyrimidin-2-yl)thio]acetyl]-4-hexoxy-benzohydrazide Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC(=CC(=N2)C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=O)CSC2=NC(=CC(=N2)C)C

InChI

InChI=1S/C21H28N4O3S/c1-4-5-6-7-12-28-18-10-8-17(9-11-18)20(27)25-24-19(26)14-29-21-22-15(2)13-16(3)23-21/h8-11,13H,4-7,12,14H2,1-3H3,(H,24,26)(H,25,27)