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

Systemtic Name: quinolin-8-yl (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylate Openeye Name: 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 8-quinolinyl ester IUPAC Name: quinolin-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 8-quinolyl ester Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)N)CC(C2)(C)C)C(=O)OC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N\NC(=S)N)/CC(C2)(C)C)C(=O)OC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C22H22N4O3S/c1-12-17-14(25-26-21(23)30)10-22(2,3)11-16(17)28-19(12)20(27)29-15-8-4-6-13-7-5-9-24-18(13)15/h4-9H,10-11H2,1-3H3,(H3,23,26,30)/b25-14-