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

Systemtic Name: 3-acetamido-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Openeye Name: 3-acetamido-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide CAS Name: 3-acetamido-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]benzamide IUPAC Name: 3-acetamido-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Traditional Name: 3-acetamido-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)C)C

InChI

InChI=1S/C21H20N4O2S/c1-13-11-14(2)23-21(22-13)28-19-9-7-17(8-10-19)25-20(27)16-5-4-6-18(12-16)24-15(3)26/h4-12H,1-3H3,(H,24,26)(H,25,27)