N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide

Systemtic Name: N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-(2-phenylethynyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[2-(2-phenylethynyl)phenyl]thiocarbamoyl]benzamide Formula: C22H16N2OS MolecularWeight: 356.44024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H16N2OS/c25-21(19-12-5-2-6-13-19)24-22(26)23-20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1-14H,(H2,23,24,25,26)