(5-bromanylquinolin-8-yl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C20H17BrN4O3S MolecularWeight: 473.34298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C20H17BrN4O3S/c1-10-16-13(24-25-20(22)29)5-2-6-14(16)27-18(10)19(26)28-15-8-7-12(21)11-4-3-9-23-17(11)15/h3-4,7-9H,2,5-6H2,1H3,(H3,22,25,29)/b24-13+