5-[[7-azanyl-3,5-bis(oxidanyl)-7-oxidanylidene-heptyl]carbamoylamino]-3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxamide

Systemtic Name: 5-[[7-azanyl-3,5-bis(oxidanyl)-7-oxidanylidene-heptyl]carbamoylamino]-3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-1,2-thiazole-4-carboxamide Openeye Name: 5-[(7-amino-3,5-dihydroxy-7-oxo-heptyl)carbamoylamino]-3-[(2,6-difluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxamide CAS Name: 5-[[[(7-amino-3,5-dihydroxy-7-oxoheptyl)amino]-oxomethyl]amino]-3-[(2,6-difluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxamide IUPAC Name: 5-[(7-amino-3,5-dihydroxy-7-oxoheptyl)carbamoylamino]-3-[(2,6-difluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxamide Traditional Name: 5-[(7-amino-3,5-dihydroxy-7-keto-heptyl)carbamoylamino]-3-(2,6-difluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxamide Formula: C20H25F2N5O6S MolecularWeight: 501.504206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCC(CC(CC(=O)N)O)O)F

Isomeric SMILES

CC1=CC(=C(C(=C1)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCC(CC(CC(=O)N)O)O)F

InChI

InChI=1S/C20H25F2N5O6S/c1-9-4-13(21)12(14(22)5-9)8-33-18-16(17(24)31)19(34-27-18)26-20(32)25-3-2-10(28)6-11(29)7-15(23)30/h4-5,10-11,28-29H,2-3,6-8H2,1H3,(H2,23,30)(H2,24,31)(H2,25,26,32)