ethyl 1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(4,7-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4,7-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(4,7-phenanthrolin-5-ylthiocarbamoyl)isonipecotic acid ethyl ester Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

InChI

InChI=1S/C21H22N4O2S/c1-2-27-20(26)14-7-11-25(12-8-14)21(28)24-18-13-17-15(5-3-9-22-17)16-6-4-10-23-19(16)18/h3-6,9-10,13-14H,2,7-8,11-12H2,1H3,(H,24,28)