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

Systemtic Name: ethyl 4-(4,7-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4,7-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(4,7-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4,7-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(4,7-phenanthrolin-5-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=C3C(=C4C=CC=NC4=C2)C=CC=N3

InChI

InChI=1S/C20H21N5O2S/c1-2-27-20(26)25-11-9-24(10-12-25)19(28)23-17-13-16-14(5-3-7-21-16)15-6-4-8-22-18(15)17/h3-8,13H,2,9-12H2,1H3,(H,23,28)