3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[4-(4-methylpiperazin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[4-(4-methylpiperazin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-[4-(4-methylpiperazin-1-yl)butylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[[4-(4-methyl-1-piperazinyl)butylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[4-(4-methylpiperazin-1-yl)butylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-[4-(4-methylpiperazino)butylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C21H26ClF2N5O4S MolecularWeight: 517.977046

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)O

InChI

InChI=1S/C21H26ClF2N5O4S/c1-28-6-8-29(9-7-28)5-3-2-4-25-21(32)26-19-17(20(30)31)18(27-34-19)33-12-14-15(23)10-13(22)11-16(14)24/h10-11H,2-9,12H2,1H3,(H,30,31)(H2,25,26,32)