2-[2-(4-carbamothioylphenyl)-1-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperidin-4-yl]oxyethanoic acid

Systemtic Name: 2-[2-(4-carbamothioylphenyl)-1-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperidin-4-yl]oxyethanoic acid Openeye Name: 2-[[2-(4-carbamothioylphenyl)-1-(imidazo[1,2-a]pyridine-7-carbonyl)-4-piperidyl]oxy]acetic acid CAS Name: 2-[[2-(4-carbamothioylphenyl)-1-[7-imidazo[1,2-a]pyridinyl(oxo)methyl]-4-piperidinyl]oxy]acetic acid IUPAC Name: 2-[2-(4-carbamothioylphenyl)-1-(imidazo[1,2-a]pyridine-7-carbonyl)piperidin-4-yl]oxyacetic acid Traditional Name: 2-[[1-(imidazo[1,2-a]pyridine-7-carbonyl)-2-(4-thiocarbamoylphenyl)-4-piperidyl]oxy]acetic acid Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CC1OCC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

Isomeric SMILES

C1CN(C(CC1OCC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

InChI

InChI=1S/C22H22N4O4S/c23-21(31)15-3-1-14(2-4-15)18-12-17(30-13-20(27)28)6-9-26(18)22(29)16-5-8-25-10-7-24-19(25)11-16/h1-5,7-8,10-11,17-18H,6,9,12-13H2,(H2,23,31)(H,27,28)