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

Systemtic Name: 4-[2-[(3E)-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)-1-propyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-2-oxo-3-(phenylcarbamoylhydrazono)-1-propyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-oxo-1-propyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-2-oxo-3-(phenylcarbamoylhydrazinylidene)-1-propylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-2-keto-3-(phenylcarbamoylhydrazono)-1-propyl-indolin-5-yl]thio]ethyl]benzoic acid Formula: C27H26N4O4S MolecularWeight: 502.58474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)NC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C27H26N4O4S/c1-2-15-31-23-13-12-21(36-16-14-18-8-10-19(11-9-18)26(33)34)17-22(23)24(25(31)32)29-30-27(35)28-20-6-4-3-5-7-20/h3-13,17H,2,14-16H2,1H3,(H,33,34)(H2,28,30,35)/b29-24+