N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethoxy-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethoxy-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethoxy-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-ethoxybenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-ethoxybenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-ethoxy-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C21H21N3O2S/c1-4-26-18-9-5-16(6-10-18)20(25)24-17-7-11-19(12-8-17)27-21-22-14(2)13-15(3)23-21/h5-13H,4H2,1-3H3,(H,24,25)