2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]propionamide Formula: C22H22ClN3O2S MolecularWeight: 427.94698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)C)C

InChI

InChI=1S/C22H22ClN3O2S/c1-13-11-17(23)5-10-20(13)28-16(4)21(27)26-18-6-8-19(9-7-18)29-22-24-14(2)12-15(3)25-22/h5-12,16H,1-4H3,(H,26,27)