methyl 4-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[1-(m-tolyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[1-(m-tolyl)imidazol-2-yl]thio]propanoylamino]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=C2SC(C)C(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SC(C)C(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

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