ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CSC2=NC=CN2C3=C(C=CC(=C3)C)C

InChI

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