ethyl 4-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-(2-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[1-(2-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-o-cumenylimidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C(C)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=CN2C3=CC=CC=C3C(C)C

InChI

InChI=1S/C21H28N4O3S/c1-4-28-21(27)24-13-11-23(12-14-24)19(26)15-29-20-22-9-10-25(20)18-8-6-5-7-17(18)16(2)3/h5-10,16H,4,11-15H2,1-3H3