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

Systemtic Name: 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide Openeye Name: 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide CAS Name: 2-[[1-oxo-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propyl]amino]benzamide IUPAC Name: 2-[2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanoylamino]benzamide Traditional Name: 2-[2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propanoylamino]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=C(C=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=CC=C(C=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C25H23N3O3S/c1-17(25(31)28-22-10-6-5-9-21(22)24(26)30)32-20-14-12-19(13-15-20)27-23(29)16-11-18-7-3-2-4-8-18/h2-17H,1H3,(H2,26,30)(H,27,29)(H,28,31)/b16-11+