N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-tert-butyl-benzamide

Systemtic Name: N-[(5-bromanylpyridin-2-yl)carbamothioyl]-4-tert-butyl-benzamide Openeye Name: N-[(5-bromo-2-pyridyl)carbamothioyl]-4-tert-butyl-benzamide CAS Name: N-[[(5-bromo-2-pyridinyl)amino]-sulfanylidenemethyl]-4-tert-butylbenzamide IUPAC Name: N-[(5-bromopyridin-2-yl)carbamothioyl]-4-tert-butylbenzamide Traditional Name: N-[(5-bromo-2-pyridyl)thiocarbamoyl]-4-tert-butyl-benzamide Formula: C17H18BrN3OS MolecularWeight: 392.31332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=C(C=C2)Br

InChI

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