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

Systemtic Name: (4E)-3-methyl-N-(3-methylbutyl)-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N-isopentyl-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-N-(3-methylbutyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-3-methyl-N-(3-methylbutyl)-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N-isoamyl-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NCCC(C)C

InChI

InChI=1S/C22H28N4O2S/c1-14(2)12-13-23-21(27)20-15(3)19-17(10-7-11-18(19)28-20)25-26-22(29)24-16-8-5-4-6-9-16/h4-6,8-9,14H,7,10-13H2,1-3H3,(H,23,27)(H2,24,26,29)/b25-17+