4-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]benzamide Formula: C16H12BrN3OS MolecularWeight: 374.25498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC#N)NC(=S)NC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC(=CC=C1CC#N)NC(=S)NC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H12BrN3OS/c17-13-5-3-12(4-6-13)15(21)20-16(22)19-14-7-1-11(2-8-14)9-10-18/h1-8H,9H2,(H2,19,20,21,22)