4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-1-phenylbutylideneamino]benzamide

Systemtic Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-1-phenylbutylideneamino]benzamide Openeye Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-1-phenylbutylideneamino]benzamide CAS Name: 4-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N-[(Z)-1-phenylbutylideneamino]benzamide IUPAC Name: 4-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-N-[(Z)-1-phenylbutylideneamino]benzamide Traditional Name: 4-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-N-[(Z)-1-phenylbutylideneamino]benzamide Formula: C24H26N4OS MolecularWeight: 418.55444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NNC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C)C3=CC=CC=C3

Isomeric SMILES

CCC/C(=N/NC(=O)C1=CC=C(C=C1)CSC2=NC(=CC(=N2)C)C)/C3=CC=CC=C3

InChI

InChI=1S/C24H26N4OS/c1-4-8-22(20-9-6-5-7-10-20)27-28-23(29)21-13-11-19(12-14-21)16-30-24-25-17(2)15-18(3)26-24/h5-7,9-15H,4,8,16H2,1-3H3,(H,28,29)/b27-22-