N-(4-phenoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: 2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: N-(4-phenoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C31H28N2O3S MolecularWeight: 508.63062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C31H28N2O3S/c1-2-29(31(35)33-24-17-19-27(20-18-24)36-26-13-7-4-8-14-26)37-28-15-9-12-25(22-28)32-30(34)21-16-23-10-5-3-6-11-23/h3-22,29H,2H2,1H3,(H,32,34)(H,33,35)/b21-16+