methyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[1-(3,5-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C=CN=C2SCC(=O)NCC3=CC=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C22H23N3O3S/c1-15-10-16(2)12-19(11-15)25-9-8-23-22(25)29-14-20(26)24-13-17-4-6-18(7-5-17)21(27)28-3/h4-12H,13-14H2,1-3H3,(H,24,26)