2-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]benzamide Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3OS/c17-14-4-2-1-3-13(14)15(21)20-16(22)19-12-7-5-11(6-8-12)9-10-18/h1-8H,9H2,(H2,19,20,21,22)