3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butyl]amino]benzoic acid IUPAC Name: 3-[2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butanoylamino]benzoic acid Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H24N2O4S/c1-2-23(25(30)28-20-11-6-10-19(16-20)26(31)32)33-22-13-7-12-21(17-22)27-24(29)15-14-18-8-4-3-5-9-18/h3-17,23H,2H2,1H3,(H,27,29)(H,28,30)(H,31,32)/b15-14+