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

Systemtic Name: ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2,3-dimethyl-6-quinoxalinyl)amino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,3-dimethylquinoxalin-6-yl)carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[(2,3-dimethylquinoxalin-6-yl)thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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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)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C18H23N5O2S/c1-4-25-18(24)23-9-7-22(8-10-23)17(26)21-14-5-6-15-16(11-14)20-13(3)12(2)19-15/h5-6,11H,4,7-10H2,1-3H3,(H,21,26)