O-(2,3-dimethylquinoxalin-6-yl) 3-(diethylcarbamoyl)piperidine-1-carbothioate

Systemtic Name: O-(2,3-dimethylquinoxalin-6-yl) 3-(diethylcarbamoyl)piperidine-1-carbothioate Openeye Name: O-(2,3-dimethylquinoxalin-6-yl) 3-(diethylcarbamoyl)piperidine-1-carbothioate CAS Name: 3-[diethylamino(oxo)methyl]-1-piperidinecarbothioic acid O-(2,3-dimethyl-6-quinoxalinyl) ester IUPAC Name: O-(2,3-dimethylquinoxalin-6-yl) 3-(diethylcarbamoyl)piperidine-1-carbothioate Traditional Name: 3-(diethylcarbamoyl)piperidine-1-carbothioic acid O-(2,3-dimethylquinoxalin-6-yl) ester Formula: C21H28N4O2S MolecularWeight: 400.53762

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCCN(C1)C(=S)OC2=CC3=C(C=C2)N=C(C(=N3)C)C

Isomeric SMILES

CCN(CC)C(=O)C1CCCN(C1)C(=S)OC2=CC3=C(C=C2)N=C(C(=N3)C)C

InChI

InChI=1S/C21H28N4O2S/c1-5-24(6-2)20(26)16-8-7-11-25(13-16)21(28)27-17-9-10-18-19(12-17)23-15(4)14(3)22-18/h9-10,12,16H,5-8,11,13H2,1-4H3