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

Systemtic Name: (4E)-3-methyl-N-(3-nitrophenyl)-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-3-methyl-N-(3-nitrophenyl)-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-N-(3-nitrophenyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-3-methyl-N-(3-nitrophenyl)-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-3-methyl-N-(3-nitrophenyl)-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C23H21N5O4S MolecularWeight: 463.50894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O4S/c1-14-20-18(26-27-23(33)25-15-7-3-2-4-8-15)11-6-12-19(20)32-21(14)22(29)24-16-9-5-10-17(13-16)28(30)31/h2-5,7-10,13H,6,11-12H2,1H3,(H,24,29)(H2,25,27,33)/b26-18+