N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(5-bromanyl-6-methyl-pyridin-2-yl)carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[(5-bromo-6-methyl-2-pyridyl)carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[(5-bromo-6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[(5-bromo-6-methylpyridin-2-yl)carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(5-bromo-6-methyl-2-pyridyl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C20H24BrN3O4S MolecularWeight: 482.39126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=NC(=C(C=C2)Br)C

InChI

InChI=1S/C20H24BrN3O4S/c1-5-26-15-10-13(11-16(27-6-2)18(15)28-7-3)19(25)24-20(29)23-17-9-8-14(21)12(4)22-17/h8-11H,5-7H2,1-4H3,(H2,22,23,24,25,29)