ethyl 1-(quinoxalin-6-ylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(quinoxalin-6-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(quinoxalin-6-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(6-quinoxalinylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(quinoxalin-6-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(quinoxalin-6-ylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C17H20N4O2S MolecularWeight: 344.4313

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=NC=CN=C3C=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC3=NC=CN=C3C=C2

InChI

InChI=1S/C17H20N4O2S/c1-2-23-16(22)12-5-9-21(10-6-12)17(24)20-13-3-4-14-15(11-13)19-8-7-18-14/h3-4,7-8,11-12H,2,5-6,9-10H2,1H3,(H,20,24)