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

Systemtic Name: 4-[2-[(3Z)-3-(morpholin-4-ylcarbonylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-3-(morpholine-4-carbonylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-3-[[4-morpholinyl(oxo)methyl]hydrazinylidene]-2-oxo-1-pentyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-3-(morpholine-4-carbonylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-1-amyl-2-keto-3-(morpholine-4-carbonylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N4CCOCC4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=O)N4CCOCC4)/C1=O

InChI

InChI=1S/C27H32N4O5S/c1-2-3-4-12-31-23-10-9-21(37-17-11-19-5-7-20(8-6-19)26(33)34)18-22(23)24(25(31)32)28-29-27(35)30-13-15-36-16-14-30/h5-10,18H,2-4,11-17H2,1H3,(H,29,35)(H,33,34)/b28-24-