N-(4-methoxyphenyl)-4-[2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanoylamino]benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-[2-[[3-(2-thiophen-2-ylethynyl)phenyl]amino]ethanoylamino]benzamide Openeye Name: N-(4-methoxyphenyl)-4-[[2-[3-[2-(2-thienyl)ethynyl]anilino]acetyl]amino]benzamide CAS Name: N-(4-methoxyphenyl)-4-[[1-oxo-2-[3-(2-thiophen-2-ylethynyl)anilino]ethyl]amino]benzamide IUPAC Name: N-(4-methoxyphenyl)-4-[[2-[3-(2-thiophen-2-ylethynyl)anilino]acetyl]amino]benzamide Traditional Name: N-(4-methoxyphenyl)-4-[[2-[3-[2-(2-thienyl)ethynyl]anilino]acetyl]amino]benzamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CNC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C28H23N3O3S/c1-34-25-14-12-23(13-15-25)31-28(33)21-8-10-22(11-9-21)30-27(32)19-29-24-5-2-4-20(18-24)7-16-26-6-3-17-35-26/h2-6,8-15,17-18,29H,19H2,1H3,(H,30,32)(H,31,33)