methyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoate CAS Name: 4-[[[(4E)-4-[[anilino(sulfanylidene)methyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(4E)-3-methyl-4-(phenylcarbamothioylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbonyl]amino]benzoate Traditional Name: 4-[[(4E)-3-methyl-4-(phenylthiocarbamoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]amino]benzoic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=S)NC3=CC=CC=C3)CCC2)C(=O)NC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=S)NC3=CC=CC=C3)/CCC2)C(=O)NC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H24N4O4S/c1-15-21-19(28-29-25(34)27-17-7-4-3-5-8-17)9-6-10-20(21)33-22(15)23(30)26-18-13-11-16(12-14-18)24(31)32-2/h3-5,7-8,11-14H,6,9-10H2,1-2H3,(H,26,30)(H2,27,29,34)/b28-19+