ethyl 4-[[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[(E)-1-(6-methyl-2-pyridyl)ethylideneamino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[(2E)-2-[1-(6-methyl-2-pyridinyl)ethylidene]hydrazinyl]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-(6-methylpyridin-2-yl)ethylideneamino]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[(E)-1-(6-methyl-2-pyridyl)ethylideneamino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H23N5O2S MolecularWeight: 349.45112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NN=C(C)C2=NC(=CC=C2)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)N/N=C(\C)/C2=NC(=CC=C2)C

InChI

InChI=1S/C16H23N5O2S/c1-4-23-16(22)21-10-8-20(9-11-21)15(24)19-18-13(3)14-7-5-6-12(2)17-14/h5-7H,4,8-11H2,1-3H3,(H,19,24)/b18-13+