ethyl 4-[[1-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[1-(1-oxidanidylpyridin-1-ium-2-yl)ethylamino]carbamothioyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[1-(1-oxidopyridin-1-ium-2-yl)ethylamino]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[1-(1-oxido-2-pyridin-1-iumyl)ethylhydrazo]-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-(1-oxidopyridin-1-ium-2-yl)ethylamino]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[1-(1-oxidopyridin-1-ium-2-yl)ethylamino]thiocarbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H23N5O3S MolecularWeight: 353.43982

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NNC(C)C2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NNC(C)C2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H23N5O3S/c1-3-23-15(21)19-10-8-18(9-11-19)14(24)17-16-12(2)13-6-4-5-7-20(13)22/h4-7,12,16H,3,8-11H2,1-2H3,(H,17,24)