3-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-5-(4-pyrrolidin-1-ium-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[4-bromanyl-2,6-bis(fluoranyl)phenoxy]-5-(4-pyrrolidin-1-ium-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide Openeye Name: 3-(4-bromo-2,6-difluoro-phenoxy)-5-(4-pyrrolidin-1-ium-1-ylbutylcarbamoylamino)isothiazole-4-carboxamide CAS Name: 3-(4-bromo-2,6-difluorophenoxy)-5-[[oxo-[4-(1-pyrrolidin-1-iumyl)butylamino]methyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-(4-bromo-2,6-difluorophenoxy)-5-(4-pyrrolidin-1-ium-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-bromo-2,6-difluoro-phenoxy)-5-(4-pyrrolidin-1-ium-1-ylbutylcarbamoylamino)isothiazole-4-carboxamide Formula: C19H23BrF2N5O3S+ MolecularWeight: 519.383426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCCNC(=O)NC2=C(C(=NS2)OC3=C(C=C(C=C3F)Br)F)C(=O)N

Isomeric SMILES

C1CC[NH+](C1)CCCCNC(=O)NC2=C(C(=NS2)OC3=C(C=C(C=C3F)Br)F)C(=O)N

InChI

InChI=1S/C19H22BrF2N5O3S/c20-11-9-12(21)15(13(22)10-11)30-17-14(16(23)28)18(31-26-17)25-19(29)24-5-1-2-6-27-7-3-4-8-27/h9-10H,1-8H2,(H2,23,28)(H2,24,25,29)/p+1