ethyl 4-(1,9-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(1,9-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(1,9-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate CAS Name: 4-[(1,9-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,9-phenanthrolin-5-ylcarbamothioyl)piperazine-1-carboxylate Traditional Name: 4-(1,9-phenanthrolin-5-ylthiocarbamoyl)piperazine-1-carboxylic acid ethyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

InChI

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