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

Systemtic Name: 2-[(2-fluoranylphenoxy)methyl]-N-[2-(octanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(octanoylamino)cyclohexyl]thiazole-4-carboxamide CAS Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(1-oxooctylamino)cyclohexyl]-4-thiazolecarboxamide IUPAC Name: 2-[(2-fluorophenoxy)methyl]-N-[2-(octanoylamino)cyclohexyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[2-(caprylylamino)cyclohexyl]-2-[(2-fluorophenoxy)methyl]thiazole-4-carboxamide Formula: C25H34FN3O3S MolecularWeight: 475.619163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1CCCCC1NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

Isomeric SMILES

CCCCCCCC(=O)NC1CCCCC1NC(=O)C2=CSC(=N2)COC3=CC=CC=C3F

InChI

InChI=1S/C25H34FN3O3S/c1-2-3-4-5-6-15-23(30)27-19-12-8-9-13-20(19)29-25(31)21-17-33-24(28-21)16-32-22-14-10-7-11-18(22)26/h7,10-11,14,17,19-20H,2-6,8-9,12-13,15-16H2,1H3,(H,27,30)(H,29,31)