N-(2,3-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(2,3-dimethylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3)C

InChI

InChI=1S/C26H26N2O2S/c1-18-9-7-14-24(19(18)2)28-26(30)20(3)31-23-13-8-12-22(17-23)27-25(29)16-15-21-10-5-4-6-11-21/h4-17,20H,1-3H3,(H,27,29)(H,28,30)/b16-15+