ethyl 8-(diethylcarbamothioyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylate

Systemtic Name: ethyl 8-(diethylcarbamothioyl)-4-oxidanylidene-3H-1,10-phenanthroline-3-carboxylate Openeye Name: ethyl 8-(diethylcarbamothioyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylate CAS Name: 8-[diethylamino(sulfanylidene)methyl]-4-oxo-3H-1,10-phenanthroline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-(diethylcarbamothioyl)-4-oxo-3H-1,10-phenanthroline-3-carboxylate Traditional Name: 8-(diethylthiocarbamoyl)-4-keto-3H-1,10-phenanthroline-3-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)OCC

Isomeric SMILES

CCN(CC)C(=S)C1=CN=C2C(=C1)C=CC3=C2N=CC(C3=O)C(=O)OCC

InChI

InChI=1S/C20H21N3O3S/c1-4-23(5-2)19(27)13-9-12-7-8-14-17(16(12)21-10-13)22-11-15(18(14)24)20(25)26-6-3/h7-11,15H,4-6H2,1-3H3