4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(heptan-4-ylideneamino)benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(heptan-4-ylideneamino)benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(1-propylbutylideneamino)benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-(heptan-4-ylideneamino)benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-(heptan-4-ylideneamino)benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-(1-propylbutylideneamino)benzamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C)CCC

Isomeric SMILES

CCCC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C)CCC

InChI

InChI=1S/C21H28N4OS/c1-5-7-19(8-6-2)24-25-20(26)18-11-9-17(10-12-18)14-27-21-22-15(3)13-16(4)23-21/h9-13H,5-8,14H2,1-4H3,(H,25,26)