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

Systemtic Name: 3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[5-(4-methylpiperazin-1-yl)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-[5-(4-methylpiperazin-1-yl)pentylcarbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[[5-(4-methyl-1-piperazinyl)pentylamino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[5-(4-methylpiperazin-1-yl)pentylcarbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-[5-(4-methylpiperazino)pentylcarbamoylamino]isothiazole-4-carboxylic acid Formula: C22H28ClF2N5O4S MolecularWeight: 532.003626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClF2N5O4S/c1-29-7-9-30(10-8-29)6-4-2-3-5-26-22(33)27-20-18(21(31)32)19(28-35-20)34-13-15-16(24)11-14(23)12-17(15)25/h11-12H,2-10,13H2,1H3,(H,31,32)(H2,26,27,33)