N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-chloranyl-4-(2-methylpropoxy)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-isobutoxy-phenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-isobutoxy-phenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]acetamide Formula: C18H22ClN3O2S MolecularWeight: 379.90418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)OCC(C)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)NC2=CC(=C(C=C2)OCC(C)C)Cl)C

InChI

InChI=1S/C18H22ClN3O2S/c1-11(2)9-24-16-6-5-14(8-15(16)19)22-17(23)10-25-18-20-12(3)7-13(4)21-18/h5-8,11H,9-10H2,1-4H3,(H,22,23)