ethyl 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylhydrazinylidene]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoylhydrazinylidene]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]hydrazono]piperidine-1-carboxylate CAS Name: 4-[[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]hydrazinylidene]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]hydrazinylidene]piperidine-1-carboxylate Traditional Name: 4-[[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]hydrazono]piperidine-1-carboxylic acid ethyl ester Formula: C18H24BrN3O3S MolecularWeight: 442.37046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=NNC(=O)CSC2=C(C=C(C(=C2)C)Br)C)CC1

Isomeric SMILES

CCOC(=O)N1CCC(=NNC(=O)CSC2=C(C=C(C(=C2)C)Br)C)CC1

InChI

InChI=1S/C18H24BrN3O3S/c1-4-25-18(24)22-7-5-14(6-8-22)20-21-17(23)11-26-16-10-12(2)15(19)9-13(16)3/h9-10H,4-8,11H2,1-3H3,(H,21,23)