5-bromanyl-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(2-oxidanyl-5-propan-2-yl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-isopropyl-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(2-hydroxy-5-propan-2-ylanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(2-hydroxy-5-propan-2-ylphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-isopropyl-phenyl)thiocarbamoyl]nicotinamide Formula: C16H16BrN3O2S MolecularWeight: 394.28614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrN3O2S/c1-9(2)10-3-4-14(21)13(6-10)19-16(23)20-15(22)11-5-12(17)8-18-7-11/h3-9,21H,1-2H3,(H2,19,20,22,23)