N-cycloheptyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-cycloheptyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-cycloheptyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-cycloheptyl-2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-cycloheptyl-2-[[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide Formula: C22H26F3N3O3S MolecularWeight: 469.52035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3CCCCCC3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NC(=N2)SCC(=O)NC3CCCCCC3)C(F)(F)F)OC

InChI

InChI=1S/C22H26F3N3O3S/c1-30-17-10-9-14(11-18(17)31-2)16-12-19(22(23,24)25)28-21(27-16)32-13-20(29)26-15-7-5-3-4-6-8-15/h9-12,15H,3-8,13H2,1-2H3,(H,26,29)