6-bromanyl-2-oxidanylidene-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]chromene-3-carboxamide

Systemtic Name: 6-bromanyl-2-oxidanylidene-N-[(pyridin-4-ylcarbonylamino)carbamothioyl]chromene-3-carboxamide Openeye Name: 6-bromo-2-oxo-N-[(pyridine-4-carbonylamino)carbamothioyl]chromene-3-carboxamide CAS Name: 6-bromo-2-oxo-N-[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-2-oxo-N-[(pyridine-4-carbonylamino)carbamothioyl]chromene-3-carboxamide Traditional Name: 6-bromo-N-(isonicotinamidothiocarbamoyl)-2-keto-chromene-3-carboxamide Formula: C17H11BrN4O4S MolecularWeight: 447.26264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)NC(=S)NNC(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H11BrN4O4S/c18-11-1-2-13-10(7-11)8-12(16(25)26-13)15(24)20-17(27)22-21-14(23)9-3-5-19-6-4-9/h1-8H,(H,21,23)(H2,20,22,24,27)