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

Systemtic Name: 5-bromanyl-N-[(5-butan-2-yl-2-oxidanyl-phenyl)carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[(2-hydroxy-5-sec-butyl-phenyl)carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[(5-butan-2-yl-2-hydroxyanilino)-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[(5-butan-2-yl-2-hydroxyphenyl)carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[(2-hydroxy-5-sec-butyl-phenyl)thiocarbamoyl]nicotinamide Formula: C17H18BrN3O2S MolecularWeight: 408.31272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O2S/c1-3-10(2)11-4-5-15(22)14(7-11)20-17(24)21-16(23)12-6-13(18)9-19-8-12/h4-10,22H,3H2,1-2H3,(H2,20,21,23,24)