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

Systemtic Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[4-(cyanomethyl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C16H12FN3OS MolecularWeight: 313.349383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12FN3OS/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)