3-acetamido-4-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide

Systemtic Name: 3-acetamido-4-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 3-acetamido-4-methyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 3-acetamido-4-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 3-acetamido-4-methyl-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 3-acetamido-4-methyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C22H18N2O2S MolecularWeight: 374.45552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)NC(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3)NC(=O)C

InChI

InChI=1S/C22H18N2O2S/c1-15-8-10-18(14-21(15)23-16(2)25)22(26)24-19-6-3-5-17(13-19)9-11-20-7-4-12-27-20/h3-8,10,12-14H,1-2H3,(H,23,25)(H,24,26)