5-bromanyl-N-[2-(4-tert-butylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[2-(4-tert-butylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[2-(4-tert-butylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[2-(4-tert-butylphenoxy)ethylamino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[2-(4-tert-butylphenoxy)ethylcarbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[2-(4-tert-butylphenoxy)ethylthiocarbamoyl]nicotinamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrN3O2S/c1-19(2,3)14-4-6-16(7-5-14)25-9-8-22-18(26)23-17(24)13-10-15(20)12-21-11-13/h4-7,10-12H,8-9H2,1-3H3,(H2,22,23,24,26)