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

Systemtic Name: N-(2-methyl-4-nitro-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide Openeye Name: N-(2-methyl-4-nitro-phenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-butanamide CAS Name: N-(2-methyl-4-nitrophenyl)-2-[[3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]butanamide IUPAC Name: N-(2-methyl-4-nitrophenyl)-2-[3-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylbutanamide Traditional Name: N-(2-methyl-4-nitro-phenyl)-2-[[3-[[(E)-3-phenylacryloyl]amino]phenyl]thio]butyramide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C)SC2=CC=CC(=C2)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O4S/c1-3-24(26(31)28-23-14-13-21(29(32)33)16-18(23)2)34-22-11-7-10-20(17-22)27-25(30)15-12-19-8-5-4-6-9-19/h4-17,24H,3H2,1-2H3,(H,27,30)(H,28,31)/b15-12+