5-bromanyl-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(5-tert-butyl-3-chloro-2-hydroxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(5-tert-butyl-3-chloro-2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(5-tert-butyl-3-chloro-2-hydroxy-phenyl)thiocarbamoyl]nicotinamide Formula: C17H17BrClN3O2S MolecularWeight: 442.75778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrClN3O2S/c1-17(2,3)10-5-12(19)14(23)13(6-10)21-16(25)22-15(24)9-4-11(18)8-20-7-9/h4-8,23H,1-3H3,(H2,21,22,24,25)