5-bromanyl-N-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]nicotinamide Formula: C22H14BrN3O3S MolecularWeight: 480.33386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C22H14BrN3O3S/c23-16-9-15(11-24-12-16)20(27)26-22(30)25-17-7-5-13(6-8-17)18-10-14-3-1-2-4-19(14)29-21(18)28/h1-12H,(H2,25,26,27,30)