N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-3-butoxybenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-3-butoxy-benzamide Formula: C18H20BrN3O2S MolecularWeight: 422.3393

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

InChI

InChI=1S/C18H20BrN3O2S/c1-3-4-10-24-14-7-5-6-13(11-14)17(23)22-18(25)21-16-9-8-15(19)12(2)20-16/h5-9,11H,3-4,10H2,1-2H3,(H2,20,21,22,23,25)