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

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)benzohydrazide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-[4-oxo-4-(2-thienyl)butanoyl]benzohydrazide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N'-(1,4-dioxo-4-thiophen-2-ylbutyl)benzohydrazide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N'-(4-oxo-4-thiophen-2-ylbutanoyl)benzohydrazide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N'-[4-keto-4-(2-thienyl)butanoyl]benzohydrazide Formula: C22H22N4O3S2 MolecularWeight: 454.56508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(C=C2)C(=O)NNC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H22N4O3S2/c1-14-12-15(2)24-22(23-14)31-13-16-5-7-17(8-6-16)21(29)26-25-20(28)10-9-18(27)19-4-3-11-30-19/h3-8,11-12H,9-10,13H2,1-2H3,(H,25,28)(H,26,29)