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

Systemtic Name: N-(2-methoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-methoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-methoxyphenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-methoxyphenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-methoxyphenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OC)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H26N2O3S/c1-3-24(26(30)28-22-14-7-8-15-23(22)31-2)32-21-13-9-12-20(18-21)27-25(29)17-16-19-10-5-4-6-11-19/h4-18,24H,3H2,1-2H3,(H,27,29)(H,28,30)/b17-16+