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

Systemtic Name: ethyl 1-[(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[2,3-bis(2-thienyl)quinoxalin-6-yl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(2,3-dithiophen-2-yl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,3-dithiophen-2-ylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[2,3-bis(2-thienyl)quinoxalin-6-yl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C25H24N4O2S3 MolecularWeight: 508.67866

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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=CS4)C5=CC=CS5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CS4)C5=CC=CS5

InChI

InChI=1S/C25H24N4O2S3/c1-2-31-24(30)16-9-11-29(12-10-16)25(32)26-17-7-8-18-19(15-17)28-23(21-6-4-14-34-21)22(27-18)20-5-3-13-33-20/h3-8,13-16H,2,9-12H2,1H3,(H,26,32)