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

Systemtic Name: 3-bromanyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-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(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

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