2-bromanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 2-bromanyl-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 2-bromo-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 2-bromo-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 2-bromo-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C14H12BrN3OS MolecularWeight: 350.23358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C14H12BrN3OS/c15-12-6-2-1-5-11(12)13(19)18-14(20)17-9-10-4-3-7-16-8-10/h1-8H,9H2,(H2,17,18,19,20)