3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[[6-(ethylamino)-2,4-bis(oxidanyl)-6-oxidanylidene-hexyl]carbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[[6-(ethylamino)-2,4-bis(oxidanyl)-6-oxidanylidene-hexyl]carbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(2,6-difluoro-4-methyl-phenyl)methoxy]-5-[[6-(ethylamino)-2,4-dihydroxy-6-oxo-hexyl]carbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[[[[6-(ethylamino)-2,4-dihydroxy-6-oxohexyl]amino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[[6-(ethylamino)-2,4-dihydroxy-6-oxohexyl]carbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(2,6-difluoro-4-methyl-benzyl)oxy-5-[[6-(ethylamino)-2,4-dihydroxy-6-keto-hexyl]carbamoylamino]isothiazole-4-carboxamide Formula: C21H27F2N5O6S MolecularWeight: 515.530786

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CC(CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)C)F)C(=O)N)O)O

Isomeric SMILES

CCNC(=O)CC(CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2F)C)F)C(=O)N)O)O

InChI

InChI=1S/C21H27F2N5O6S/c1-3-25-16(31)7-11(29)6-12(30)8-26-21(33)27-20-17(18(24)32)19(28-35-20)34-9-13-14(22)4-10(2)5-15(13)23/h4-5,11-12,29-30H,3,6-9H2,1-2H3,(H2,24,32)(H,25,31)(H2,26,27,33)