5-bromanyl-N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[2-(3-methylphenoxy)ethylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(3-methylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(3-methylphenoxy)ethylthiocarbamoyl]nicotinamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C16H16BrN3O2S/c1-11-3-2-4-14(7-11)22-6-5-19-16(23)20-15(21)12-8-13(17)10-18-9-12/h2-4,7-10H,5-6H2,1H3,(H2,19,20,21,23)