3-bromanyl-4-tert-butyl-N-(pyridin-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-tert-butyl-N-(pyridin-2-ylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-tert-butyl-N-(2-pyridylcarbamothioyl)benzamide CAS Name: 3-bromo-4-tert-butyl-N-[(2-pyridinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-tert-butyl-N-(pyridin-2-ylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-tert-butyl-N-(2-pyridylthiocarbamoyl)benzamide Formula: C17H18BrN3OS MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2)Br

InChI

InChI=1S/C17H18BrN3OS/c1-17(2,3)12-8-7-11(10-13(12)18)15(22)21-16(23)20-14-6-4-5-9-19-14/h4-10H,1-3H3,(H2,19,20,21,22,23)