N-(2-adamantylcarbamothioyl)-2,3,5,6-tetrakis(fluoranyl)-4-methoxy-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2,3,5,6-tetrakis(fluoranyl)-4-methoxy-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2,3,5,6-tetrafluoro-4-methoxybenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2,3,5,6-tetrafluoro-4-methoxybenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2,3,5,6-tetrafluoro-4-methoxy-benzamide Formula: C19H20F4N2O2S MolecularWeight: 416.432913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)F)F

Isomeric SMILES

COC1=C(C(=C(C(=C1F)F)C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)F)F

InChI

InChI=1S/C19H20F4N2O2S/c1-27-17-14(22)12(20)11(13(21)15(17)23)18(26)25-19(28)24-16-9-3-7-2-8(5-9)6-10(16)4-7/h7-10,16H,2-6H2,1H3,(H2,24,25,26,28)