methyl 4-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(p-tolylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-methylphenyl)methyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(4-methylbenzyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O3S/c1-15-3-5-16(6-4-15)13-24-12-11-22-21(24)28-14-19(25)23-18-9-7-17(8-10-18)20(26)27-2/h3-12H,13-14H2,1-2H3,(H,23,25)