N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methoxy-4-methyl-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methoxy-4-methyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methoxy-4-methyl-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-3-methoxy-4-methylbenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-3-methoxy-4-methylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-3-methoxy-4-methyl-benzamide Formula: C21H21N3O2S MolecularWeight: 379.47534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C)OC

InChI

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