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

Systemtic Name: 4-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 4-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O4S/c1-17(24(29)27-21-10-8-19(9-11-21)25(30)31)32-22-14-12-20(13-15-22)26-23(28)16-7-18-5-3-2-4-6-18/h2-17H,1H3,(H,26,28)(H,27,29)(H,30,31)/b16-7+