4-methyl-3-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]propanoylamino]benzoic acid Formula: C25H24N2O4S MolecularWeight: 448.53406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)C(C)SC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

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