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

Systemtic Name: (4E)-N-butan-2-yl-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-N-sec-butyl-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-N-butan-2-yl-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N-butan-2-yl-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-N-sec-butyl-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=C(C2=C(O1)CCCC2=NNC(=S)NC3=CC=CC=C3)C

Isomeric SMILES

CCC(C)NC(=O)C1=C(C\2=C(O1)CCC/C2=N\NC(=S)NC3=CC=CC=C3)C

InChI

InChI=1S/C21H26N4O2S/c1-4-13(2)22-20(26)19-14(3)18-16(11-8-12-17(18)27-19)24-25-21(28)23-15-9-6-5-7-10-15/h5-7,9-10,13H,4,8,11-12H2,1-3H3,(H,22,26)(H2,23,25,28)/b24-16+