propan-2-yl 4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid isopropyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC(C)C)C

InChI

InChI=1S/C23H25N3O3S/c1-15(2)29-22(28)18-6-8-19(9-7-18)25-21(27)14-30-23-24-11-12-26(23)20-10-5-16(3)13-17(20)4/h5-13,15H,14H2,1-4H3,(H,25,27)