1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2,3-bis(2-furyl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylic acid CAS Name: 1-[[[2,3-bis(2-furanyl)-6-quinoxalinyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2,3-bis(furan-2-yl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2,3-bis(2-furyl)quinoxalin-6-yl]thiocarbamoyl]isonipecotic acid Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5

InChI

InChI=1S/C23H20N4O4S/c28-22(29)14-7-9-27(10-8-14)23(32)24-15-5-6-16-17(13-15)26-21(19-4-2-12-31-19)20(25-16)18-3-1-11-30-18/h1-6,11-14H,7-10H2,(H,24,32)(H,28,29)