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

Systemtic Name: (4E)-N-(4-butoxyphenyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N-(4-butoxyphenyl)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-N-(4-butoxyphenyl)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N-(4-butoxyphenyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N-(4-butoxyphenyl)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C27H30N4O3S MolecularWeight: 490.6171

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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)NC4=CC=CC=C4)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C2=C(C\3=C(O2)CCC/C3=N\NC(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N4O3S/c1-3-4-17-33-21-15-13-20(14-16-21)28-26(32)25-18(2)24-22(11-8-12-23(24)34-25)30-31-27(35)29-19-9-6-5-7-10-19/h5-7,9-10,13-16H,3-4,8,11-12,17H2,1-2H3,(H,28,32)(H2,29,31,35)/b30-22+