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

Systemtic Name: ethyl 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[(2,3-dimethyl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2,3-dimethylquinoxalin-6-yl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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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)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C19H24N4O2S/c1-4-25-18(24)14-7-9-23(10-8-14)19(26)22-15-5-6-16-17(11-15)21-13(3)12(2)20-16/h5-6,11,14H,4,7-10H2,1-3H3,(H,22,26)