methyl 2-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate CAS Name: 2-[[1-oxo-2-[[3-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[2-[[3-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid methyl ester Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4S/c1-17(24(29)27-22-14-7-6-13-21(22)25(30)31-2)32-20-12-8-11-19(16-20)26-23(28)15-18-9-4-3-5-10-18/h3-14,16-17H,15H2,1-2H3,(H,26,28)(H,27,29)