N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(4-butoxyphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(4-butoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(4-butoxyphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C28H30N2O3S MolecularWeight: 474.6144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C28H30N2O3S/c1-3-4-19-33-25-16-14-23(15-17-25)30-28(32)21(2)34-26-12-8-11-24(20-26)29-27(31)18-13-22-9-6-5-7-10-22/h5-18,20-21H,3-4,19H2,1-2H3,(H,29,31)(H,30,32)/b18-13+