N-[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-2,5-dimethoxy-phenyl]benzamide

Systemtic Name: N-[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-2,5-dimethoxy-phenyl]benzamide Openeye Name: N-[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-2,5-dimethoxy-phenyl]benzamide CAS Name: N-[4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-2,5-dimethoxyphenyl]benzamide IUPAC Name: N-[4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]-2,5-dimethoxyphenyl]benzamide Traditional Name: N-[4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]-2,5-dimethoxy-phenyl]benzamide Formula: C26H28N2O4S MolecularWeight: 464.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3)OC)C

InChI

InChI=1S/C26H28N2O4S/c1-17-10-11-20(14-18(17)2)33-13-12-25(29)27-21-15-24(32-4)22(16-23(21)31-3)28-26(30)19-8-6-5-7-9-19/h5-11,14-16H,12-13H2,1-4H3,(H,27,29)(H,28,30)