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

Systemtic Name: 4-[3-[(3E)-3-(morpholin-4-ylcarbonylhydrazinylidene)-2-oxidanylidene-1-propyl-indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3E)-3-(morpholine-4-carbonylhydrazono)-2-oxo-1-propyl-indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3E)-3-[[4-morpholinyl(oxo)methyl]hydrazinylidene]-2-oxo-1-propyl-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3E)-3-(morpholine-4-carbonylhydrazinylidene)-2-oxo-1-propylindol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3E)-2-keto-3-(morpholine-4-carbonylhydrazono)-1-propyl-indolin-5-yl]thio]propyl]benzoic acid Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N4CCOCC4)C1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)N4CCOCC4)/C1=O

InChI

InChI=1S/C26H30N4O5S/c1-2-11-30-22-10-9-20(36-16-3-4-18-5-7-19(8-6-18)25(32)33)17-21(22)23(24(30)31)27-28-26(34)29-12-14-35-15-13-29/h5-10,17H,2-4,11-16H2,1H3,(H,28,34)(H,32,33)/b27-23+