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

Systemtic Name: 3-bromanyl-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[4-(1-cyanocyclopentyl)phenyl]thiocarbamoyl]benzamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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