N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(2-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(2-fluoranylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[2-[[(1-adamantylamino)-oxomethyl]amino]cyclohexyl]-2-[(2-fluorophenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(1-adamantylcarbamoylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]thiazole-4-carboxamide Formula: C28H35FN4O3S MolecularWeight: 526.665903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F)NC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CCC(C(C1)NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F)NC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H35FN4O3S/c29-20-5-1-4-8-24(20)36-15-25-30-23(16-37-25)26(34)31-21-6-2-3-7-22(21)32-27(35)33-28-12-17-9-18(13-28)11-19(10-17)14-28/h1,4-5,8,16-19,21-22H,2-3,6-7,9-15H2,(H,31,34)(H2,32,33,35)