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

Systemtic Name: 3-[3-(4-carbamothioylphenyl)-4-imidazo[1,2-a]pyridin-7-ylcarbonyl-piperazin-1-yl]propanoic acid Openeye Name: 3-[3-(4-carbamothioylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]propanoic acid CAS Name: 3-[3-(4-carbamothioylphenyl)-4-[7-imidazo[1,2-a]pyridinyl(oxo)methyl]-1-piperazinyl]propanoic acid IUPAC Name: 3-[3-(4-carbamothioylphenyl)-4-(imidazo[1,2-a]pyridine-7-carbonyl)piperazin-1-yl]propanoic acid Traditional Name: 3-[4-(imidazo[1,2-a]pyridine-7-carbonyl)-3-(4-thiocarbamoylphenyl)piperazino]propionic acid Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

Isomeric SMILES

C1CN(C(CN1CCC(=O)O)C2=CC=C(C=C2)C(=S)N)C(=O)C3=CC4=NC=CN4C=C3

InChI

InChI=1S/C22H23N5O3S/c23-21(31)16-3-1-15(2-4-16)18-14-25(8-6-20(28)29)11-12-27(18)22(30)17-5-9-26-10-7-24-19(26)13-17/h1-5,7,9-10,13,18H,6,8,11-12,14H2,(H2,23,31)(H,28,29)