N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]thio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]sulfanyl]acetamide Traditional Name: 2-[[4-phenyl-6-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-2-yl]thio]-N-piperonyl-acetamide Formula: C21H20F3N3O3S MolecularWeight: 451.46201

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(NC1C(F)(F)F)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

Isomeric SMILES

C1C(N=C(NC1C(F)(F)F)SCC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20F3N3O3S/c22-21(23,24)18-9-15(14-4-2-1-3-5-14)26-20(27-18)31-11-19(28)25-10-13-6-7-16-17(8-13)30-12-29-16/h1-8,15,18H,9-12H2,(H,25,28)(H,26,27)