4-methyl-3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-methyl-3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-methyl-3-[2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzoic acid Formula: C26H24N2O4S MolecularWeight: 460.54476

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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=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C26H24N2O4S/c1-17-11-13-20(26(31)32)15-23(17)28-25(30)18(2)33-22-10-6-9-21(16-22)27-24(29)14-12-19-7-4-3-5-8-19/h3-16,18H,1-2H3,(H,27,29)(H,28,30)(H,31,32)/b14-12+