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

Systemtic Name: (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Openeye Name: (4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-N-(3-pyridylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide CAS Name: (4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-N-(3-pyridinylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide IUPAC Name: (4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-N-(pyridin-3-ylmethyl)-6,7-dihydro-5H-1-benzofuran-2-carboxamide Traditional Name: (4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-N-(3-pyridylmethyl)-6,7-dihydro-5H-benzofuran-2-carboxamide Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C23H23N5O2S/c1-15-20-18(27-28-23(31)26-17-8-3-2-4-9-17)10-5-11-19(20)30-21(15)22(29)25-14-16-7-6-12-24-13-16/h2-4,6-9,12-13H,5,10-11,14H2,1H3,(H,25,29)(H2,26,28,31)/b27-18+