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

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(2-methylquinolin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-3,6,6-trimethyl-N-(2-methyl-4-quinolyl)-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(2-methyl-4-quinolinyl)-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-3,6,6-trimethyl-N-(2-methylquinolin-4-yl)-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-3,6,6-trimethyl-N-(2-methyl-4-quinolyl)-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=C(C4=C(O3)CC(CC4=NNC(=S)N)(C)C)C

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C3=C(C\4=C(O3)CC(C/C4=N/NC(=S)N)(C)C)C

InChI

InChI=1S/C23H25N5O2S/c1-12-9-16(14-7-5-6-8-15(14)25-12)26-21(29)20-13(2)19-17(27-28-22(24)31)10-23(3,4)11-18(19)30-20/h5-9H,10-11H2,1-4H3,(H3,24,28,31)(H,25,26,29)/b27-17-