(2-methylquinolin-8-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylate CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Traditional Name: (4Z)-3,6,6-trimethyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C23H24N4O3S MolecularWeight: 436.52666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CC(CC4=NNC(=S)N)(C)C)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CC(C/C4=N/NC(=S)N)(C)C)C)C=C1

InChI

InChI=1S/C23H24N4O3S/c1-12-8-9-14-6-5-7-16(19(14)25-12)30-21(28)20-13(2)18-15(26-27-22(24)31)10-23(3,4)11-17(18)29-20/h5-9H,10-11H2,1-4H3,(H3,24,27,31)/b26-15-