ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanylcarbothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanylcarbothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanylcarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(2-imidazo[1,2-a]pyrimidinylmethylthio)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanylcarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(imidazo[1,2-a]pyrimidin-2-ylmethylthio)carbothioylisonipecotic acid ethyl ester Formula: C16H20N4O2S2 MolecularWeight: 364.4856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)SCC2=CN3C=CC=NC3=N2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)SCC2=CN3C=CC=NC3=N2

InChI

InChI=1S/C16H20N4O2S2/c1-2-22-14(21)12-4-8-19(9-5-12)16(23)24-11-13-10-20-7-3-6-17-15(20)18-13/h3,6-7,10,12H,2,4-5,8-9,11H2,1H3