3-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide

Systemtic Name: 3-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Openeye Name: 3-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide CAS Name: 3-(2,4-dimethylphenyl)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]propanamide IUPAC Name: 3-(2,4-dimethylphenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Traditional Name: 3-(2,4-dimethylphenyl)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]propionamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3OS/c1-15-5-6-19(16(2)13-15)7-12-22(27)26-20-8-10-21(11-9-20)28-23-24-17(3)14-18(4)25-23/h5-6,8-11,13-14H,7,12H2,1-4H3,(H,26,27)