3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-[4-[2-(hydroxymethyl)-1-piperidyl]butylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[[4-[2-(hydroxymethyl)-1-piperidinyl]butylamino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[4-[2-(hydroxymethyl)piperidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-[4-(2-methylolpiperidino)butylcarbamoylamino]isothiazole-4-carboxamide Formula: C22H28ClF2N5O4S MolecularWeight: 532.003626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CO)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N

Isomeric SMILES

C1CCN(C(C1)CO)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N

InChI

InChI=1S/C22H28ClF2N5O4S/c23-13-9-16(24)15(17(25)10-13)12-34-20-18(19(26)32)21(35-29-20)28-22(33)27-6-2-4-8-30-7-3-1-5-14(30)11-31/h9-10,14,31H,1-8,11-12H2,(H2,26,32)(H2,27,28,33)