6-bromanyl-2-oxidanylidene-N-[(2-quinolin-8-yloxypropanoylamino)carbamothioyl]chromene-3-carboxamide

Systemtic Name: 6-bromanyl-2-oxidanylidene-N-[(2-quinolin-8-yloxypropanoylamino)carbamothioyl]chromene-3-carboxamide Openeye Name: 6-bromo-2-oxo-N-[[2-(8-quinolyloxy)propanoylamino]carbamothioyl]chromene-3-carboxamide CAS Name: 6-bromo-2-oxo-N-[[[1-oxo-2-(8-quinolinyloxy)propyl]hydrazo]-sulfanylidenemethyl]-1-benzopyran-3-carboxamide IUPAC Name: 6-bromo-2-oxo-N-[(2-quinolin-8-yloxypropanoylamino)carbamothioyl]chromene-3-carboxamide Traditional Name: 6-bromo-2-keto-N-[[2-(8-quinolyloxy)propanoylamino]thiocarbamoyl]chromene-3-carboxamide Formula: C23H17BrN4O5S MolecularWeight: 541.37388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC2=C(C=CC(=C2)Br)OC1=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C23H17BrN4O5S/c1-12(32-18-6-2-4-13-5-3-9-25-19(13)18)20(29)27-28-23(34)26-21(30)16-11-14-10-15(24)7-8-17(14)33-22(16)31/h2-12H,1H3,(H,27,29)(H2,26,28,30,34)