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

Systemtic Name: 4-[3-[(3Z)-1-hexyl-3-(morpholin-4-ylcarbonylhydrazinylidene)-2-oxidanylidene-indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3Z)-1-hexyl-3-(morpholine-4-carbonylhydrazono)-2-oxo-indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3Z)-1-hexyl-3-[[4-morpholinyl(oxo)methyl]hydrazinylidene]-2-oxo-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3Z)-1-hexyl-3-(morpholine-4-carbonylhydrazinylidene)-2-oxoindol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3Z)-1-hexyl-2-keto-3-(morpholine-4-carbonylhydrazono)indolin-5-yl]thio]propyl]benzoic acid Formula: C29H36N4O5S MolecularWeight: 552.68494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N4CCOCC4)C1=O

Isomeric SMILES

CCCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=O)N4CCOCC4)/C1=O

InChI

InChI=1S/C29H36N4O5S/c1-2-3-4-5-14-33-25-13-12-23(39-19-6-7-21-8-10-22(11-9-21)28(35)36)20-24(25)26(27(33)34)30-31-29(37)32-15-17-38-18-16-32/h8-13,20H,2-7,14-19H2,1H3,(H,31,37)(H,35,36)/b30-26-