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

Systemtic Name: ethyl 4-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[2,3-bis(2-pyridyl)quinoxalin-6-yl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[[2,3-bis(2-pyridinyl)-6-quinoxalinyl]amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-dipyridin-2-ylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[2,3-bis(2-pyridyl)quinoxalin-6-yl]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C26H25N7O2S MolecularWeight: 499.5874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=N4)C5=CC=CC=N5

InChI

InChI=1S/C26H25N7O2S/c1-2-35-26(34)33-15-13-32(14-16-33)25(36)29-18-9-10-19-22(17-18)31-24(21-8-4-6-12-28-21)23(30-19)20-7-3-5-11-27-20/h3-12,17H,2,13-16H2,1H3,(H,29,36)