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

Systemtic Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Openeye Name: (4Z)-4-(carbamothioylhydrazono)-N-(2-ethoxyphenyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide CAS Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxamide IUPAC Name: (4Z)-4-(carbamothioylhydrazinylidene)-N-(2-ethoxyphenyl)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide Traditional Name: (4Z)-3,6,6-trimethyl-N-o-phenetyl-4-(thiocarbamoylhydrazono)-5,7-dihydrobenzofuran-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C2=C(C3=C(O2)CC(CC3=NNC(=S)N)(C)C)C

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)C2=C(C\3=C(O2)CC(C/C3=N/NC(=S)N)(C)C)C

InChI

InChI=1S/C21H26N4O3S/c1-5-27-15-9-7-6-8-13(15)23-19(26)18-12(2)17-14(24-25-20(22)29)10-21(3,4)11-16(17)28-18/h6-9H,5,10-11H2,1-4H3,(H,23,26)(H3,22,25,29)/b24-14-