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

Systemtic Name: ethyl 4-[3-(3-chloranyl-4-cyano-2-methyl-phenyl)-5,5-dimethyl-4-oxidanylidene-2-sulfanylidene-imidazolidin-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(3-chloro-4-cyano-2-methyl-phenyl)-5,5-dimethyl-4-oxo-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylate CAS Name: 4-[3-(3-chloro-4-cyano-2-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylidene-1-imidazolidinyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chloro-4-cyano-2-methylphenyl)-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-chloro-4-cyano-2-methyl-phenyl)-4-keto-5,5-dimethyl-2-thioxo-imidazolidin-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C21H25ClN4O3S MolecularWeight: 448.9662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4O3S/c1-5-29-20(28)24-10-8-15(9-11-24)26-19(30)25(18(27)21(26,3)4)16-7-6-14(12-23)17(22)13(16)2/h6-7,15H,5,8-11H2,1-4H3