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

Systemtic Name: 4-bromanyl-N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[2-(2-phenylethynyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[2-(2-phenylethynyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[2-(2-phenylethynyl)phenyl]thiocarbamoyl]benzamide Formula: C22H15BrN2OS MolecularWeight: 435.3363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2OS/c23-19-14-12-18(13-15-19)21(26)25-22(27)24-20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H2,24,25,26,27)