ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

InChI

InChI=1S/C20H26N4O3S/c1-4-27-20(26)23-11-9-22(10-12-23)18(25)14-28-19-21-7-8-24(19)17-13-15(2)5-6-16(17)3/h5-8,13H,4,9-12,14H2,1-3H3