N-(2,6-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O2S/c1-4-24(27(31)29-26-19(2)10-8-11-20(26)3)32-23-15-9-14-22(18-23)28-25(30)17-16-21-12-6-5-7-13-21/h5-18,24H,4H2,1-3H3,(H,28,30)(H,29,31)/b17-16+