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

Systemtic Name: 4-butoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Openeye Name: 4-butoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide CAS Name: 4-butoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide IUPAC Name: 4-butoxy-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzamide Traditional Name: 4-butoxy-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzamide Formula: C23H21NO2S MolecularWeight: 375.48334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C23H21NO2S/c1-2-3-15-26-21-12-10-19(11-13-21)23(25)24-20-7-4-6-18(17-20)9-14-22-8-5-16-27-22/h4-8,10-13,16-17H,2-3,15H2,1H3,(H,24,25)