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

Systemtic Name: (4E)-N-(3-imidazol-1-ylpropyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-N-(3-imidazol-1-ylpropyl)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-N-[3-(1-imidazolyl)propyl]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-N-(3-imidazol-1-ylpropyl)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-N-(3-imidazol-1-ylpropyl)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C23H26N6O2S MolecularWeight: 450.55654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C23H26N6O2S/c1-16-20-18(27-28-23(32)26-17-7-3-2-4-8-17)9-5-10-19(20)31-21(16)22(30)25-11-6-13-29-14-12-24-15-29/h2-4,7-8,12,14-15H,5-6,9-11,13H2,1H3,(H,25,30)(H2,26,28,32)/b27-18+