4-[2-[(3E)-3-(morpholin-4-ylcarbonylhydrazinylidene)-2-oxidanylidene-1-propyl-indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3E)-3-(morpholin-4-ylcarbonylhydrazinylidene)-2-oxidanylidene-1-propyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-3-(morpholine-4-carbonylhydrazono)-2-oxo-1-propyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[4-morpholinyl(oxo)methyl]hydrazinylidene]-2-oxo-1-propyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-3-(morpholine-4-carbonylhydrazinylidene)-2-oxo-1-propylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-2-keto-3-(morpholine-4-carbonylhydrazono)-1-propyl-indolin-5-yl]thio]ethyl]benzoic acid Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N4CCOCC4)C1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)N4CCOCC4)/C1=O

InChI

InChI=1S/C25H28N4O5S/c1-2-10-29-21-8-7-19(35-15-9-17-3-5-18(6-4-17)24(31)32)16-20(21)22(23(29)30)26-27-25(33)28-11-13-34-14-12-28/h3-8,16H,2,9-15H2,1H3,(H,27,33)(H,31,32)/b26-22+