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

Systemtic Name: ethyl 1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate CAS Name: 1-[(1,9-phenanthrolin-5-ylamino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,9-phenanthrolin-5-ylcarbamothioyl)piperidine-4-carboxylate Traditional Name: 1-(1,9-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=CC=NC3=C4C=NC=CC4=C2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C3C=CC=NC3=C4C=NC=CC4=C2

InChI

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