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

Systemtic Name: 3-[[4-bromanyl-2,6-bis(fluoranyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide Openeye Name: 3-[(4-bromo-2,6-difluoro-phenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)isothiazole-4-carboxamide CAS Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-[[oxo-[4-(1-pyrrolidinyl)butylamino]methyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(4-bromo-2,6-difluorophenyl)methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide Traditional Name: 3-(4-bromo-2,6-difluoro-benzyl)oxy-5-(4-pyrrolidinobutylcarbamoylamino)isothiazole-4-carboxamide Formula: C20H24BrF2N5O3S MolecularWeight: 532.402066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)