3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-[(2-methyl-3-piperidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-fluoranyl-phenyl)methoxy]-5-[(2-methyl-3-piperidin-1-yl-propyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Openeye Name: 3-[(4-bromo-2-fluoro-phenyl)methoxy]-5-[[2-methyl-3-(1-piperidyl)propyl]carbamoylamino]isothiazole-4-carboxylic acid CAS Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[[[[2-methyl-3-(1-piperidinyl)propyl]amino]-oxomethyl]amino]-4-isothiazolecarboxylic acid IUPAC Name: 3-[(4-bromo-2-fluorophenyl)methoxy]-5-[(2-methyl-3-piperidin-1-ylpropyl)carbamoylamino]-1,2-thiazole-4-carboxylic acid Traditional Name: 3-(4-bromo-2-fluoro-benzyl)oxy-5-[(2-methyl-3-piperidino-propyl)carbamoylamino]isothiazole-4-carboxylic acid Formula: C21H26BrFN4O4S MolecularWeight: 529.422943

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O)CN3CCCCC3

Isomeric SMILES

CC(CNC(=O)NC1=C(C(=NS1)OCC2=C(C=C(C=C2)Br)F)C(=O)O)CN3CCCCC3

InChI

InChI=1S/C21H26BrFN4O4S/c1-13(11-27-7-3-2-4-8-27)10-24-21(30)25-19-17(20(28)29)18(26-32-19)31-12-14-5-6-15(22)9-16(14)23/h5-6,9,13H,2-4,7-8,10-12H2,1H3,(H,28,29)(H2,24,25,30)