4-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]benzamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H18BrN3OS/c21-16-7-3-14(4-8-16)18(25)24-19(26)23-17-9-5-15(6-10-17)20(13-22)11-1-2-12-20/h3-10H,1-2,11-12H2,(H2,23,24,25,26)