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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=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)28-20-14-12-19(13-15-20)26(31)32)33-22-10-6-9-21(17-22)27-24(29)16-11-18-7-4-3-5-8-18/h3-17,23H,2H2,1H3,(H,27,29)(H,28,30)(H,31,32)/b16-11+