5-bromanyl-N-(cyclododecylcarbamothioyl)pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-(cyclododecylcarbamothioyl)pyridine-3-carboxamide Openeye Name: 5-bromo-N-(cyclododecylcarbamothioyl)pyridine-3-carboxamide CAS Name: 5-bromo-N-[(cyclododecylamino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-(cyclododecylcarbamothioyl)pyridine-3-carboxamide Traditional Name: 5-bromo-N-(cyclododecylthiocarbamoyl)nicotinamide Formula: C19H28BrN3OS MolecularWeight: 426.41412

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(CCCCC1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

C1CCCCCC(CCCCC1)NC(=S)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C19H28BrN3OS/c20-16-12-15(13-21-14-16)18(24)23-19(25)22-17-10-8-6-4-2-1-3-5-7-9-11-17/h12-14,17H,1-11H2,(H2,22,23,24,25)