3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[[3-oxidanyl-4-oxidanylidene-4-(4-oxidanylidenepiperidin-1-yl)butyl]carbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-[[3-oxidanyl-4-oxidanylidene-4-(4-oxidanylidenepiperidin-1-yl)butyl]carbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-chloro-2,6-difluoro-phenyl)methoxy]-5-[[3-hydroxy-4-oxo-4-(4-oxo-1-piperidyl)butyl]carbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[[[3-hydroxy-4-oxo-4-(4-oxo-1-piperidinyl)butyl]amino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-chloro-2,6-difluorophenyl)methoxy]-5-[[3-hydroxy-4-oxo-4-(4-oxopiperidin-1-yl)butyl]carbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-chloro-2,6-difluoro-benzyl)oxy-5-[[3-hydroxy-4-keto-4-(4-ketopiperidino)butyl]carbamoylamino]isothiazole-4-carboxamide Formula: C21H22ClF2N5O6S MolecularWeight: 545.944086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1=O)C(=O)C(CCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N)O

Isomeric SMILES

C1CN(CCC1=O)C(=O)C(CCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Cl)F)C(=O)N)O

InChI

InChI=1S/C21H22ClF2N5O6S/c22-10-7-13(23)12(14(24)8-10)9-35-18-16(17(25)32)19(36-28-18)27-21(34)26-4-1-15(31)20(33)29-5-2-11(30)3-6-29/h7-8,15,31H,1-6,9H2,(H2,25,32)(H2,26,27,34)