1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridin-7-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-(4-carbamothioylphenyl)-7-imidazo[1,2-a]pyridinyl]-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-thiocarbamoylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]isonipecotic acid Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C(=S)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)C2=CC3=NC(=CN3C=C2)C4=CC=C(C=C4)C(=S)N

InChI

InChI=1S/C21H20N4O3S/c22-19(29)14-3-1-13(2-4-14)17-12-25-10-7-16(11-18(25)23-17)20(26)24-8-5-15(6-9-24)21(27)28/h1-4,7,10-12,15H,5-6,8-9H2,(H2,22,29)(H,27,28)