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

Systemtic Name: quinolin-8-yl (4E)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 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 8-quinolinyl ester IUPAC Name: quinolin-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 8-quinolyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CCC2)C(=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)N)/CCC2)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H18N4O3S/c1-11-16-13(23-24-20(21)28)7-3-8-14(16)26-18(11)19(25)27-15-9-2-5-12-6-4-10-22-17(12)15/h2,4-6,9-10H,3,7-8H2,1H3,(H3,21,24,28)/b23-13+