2-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-5-iodanyl-benzamide

Systemtic Name: 2-chloranyl-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[4-(cyanomethyl)anilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[4-(cyanomethyl)phenyl]thiocarbamoyl]-5-iodo-benzamide Formula: C16H11ClIN3OS MolecularWeight: 455.70051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClIN3OS/c17-14-6-3-11(18)9-13(14)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)