ethyl 1-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2,3-bis(2-pyridyl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[2,3-bis(2-pyridinyl)-6-quinoxalinyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2,3-bis(2-pyridyl)quinoxalin-6-yl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C27H26N6O2S MolecularWeight: 498.59934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C27H26N6O2S/c1-2-35-26(34)18-11-15-33(16-12-18)27(36)30-19-9-10-20-23(17-19)32-25(22-8-4-6-14-29-22)24(31-20)21-7-3-5-13-28-21/h3-10,13-14,17-18H,2,11-12,15-16H2,1H3,(H,30,36)