5-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[4-(tetrahydrofuran-2-ylmethylcarbamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-[oxo-(2-oxolanylmethylamino)methyl]anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[4-(oxolan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[4-(tetrahydrofurfurylcarbamoyl)phenyl]thiocarbamoyl]nicotinamide Formula: C19H19BrN4O3S MolecularWeight: 463.34816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H19BrN4O3S/c20-14-8-13(9-21-10-14)18(26)24-19(28)23-15-5-3-12(4-6-15)17(25)22-11-16-2-1-7-27-16/h3-6,8-10,16H,1-2,7,11H2,(H,22,25)(H2,23,24,26,28)