ethyl 4-[3-(3-chloranyl-4-cyano-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3-chloranyl-4-cyano-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chloro-4-cyano-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chloro-4-cyanophenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-chloro-4-cyano-phenyl)-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C20H23ClN4O3S MolecularWeight: 434.93962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C(=S)N(C(=O)C2(C)C)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H23ClN4O3S/c1-4-28-19(27)23-9-7-14(8-10-23)25-18(29)24(17(26)20(25,2)3)15-6-5-13(12-22)16(21)11-15/h5-6,11,14H,4,7-10H2,1-3H3