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

Systemtic Name: 2,4-bis(chloranyl)-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Openeye Name: 2,4-dichloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide CAS Name: 2,4-dichloro-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2,4-dichloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]benzamide Traditional Name: 2,4-dichloro-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]benzamide Formula: C16H11Cl2N3OS MolecularWeight: 364.24904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11Cl2N3OS/c17-11-3-6-13(14(18)9-11)15(22)21-16(23)20-12-4-1-10(2-5-12)7-8-19/h1-6,9H,7H2,(H2,20,21,22,23)