(4E)-N-(4-butoxyphenyl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide

Systemtic Name: (4E)-N-(4-butoxyphenyl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N-(4-butoxyphenyl)-4-(carbamothioylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-N-(4-butoxyphenyl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N-(4-butoxyphenyl)-4-(carbamothioylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N-(4-butoxyphenyl)-3-methyl-4-(thiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C21H26N4O3S MolecularWeight: 414.52114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(C3=C(O2)CCCC3=NNC(=S)N)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)N)C

InChI

InChI=1S/C21H26N4O3S/c1-3-4-12-27-15-10-8-14(9-11-15)23-20(26)19-13(2)18-16(24-25-21(22)29)6-5-7-17(18)28-19/h8-11H,3-7,12H2,1-2H3,(H,23,26)(H3,22,25,29)/b24-16+