2-[3-(4-carbamothioylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(4-carbamothioylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(4-carbamothioylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]acetic acid CAS Name: 2-[3-(4-carbamothioylphenyl)-4-[7-imidazo[1,2-a]pyridinyl(oxo)methyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(4-carbamothioylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]acetic acid Traditional Name: 2-[4-(imidazo[1,2-a]pyridine-7-carbonyl)-3-(4-thiocarbamoylphenyl)piperazino]acetic acid Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

Isomeric SMILES

C1CN(C(CN1CC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

InChI

InChI=1S/C21H21N5O3S/c22-20(30)15-3-1-14(2-4-15)17-12-24(13-19(27)28)9-10-26(17)21(29)16-5-7-25-8-6-23-18(25)11-16/h1-8,11,17H,9-10,12-13H2,(H2,22,30)(H,27,28)