4-[3-[(3E)-3-(aminocarbonylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylpropyl]benzoic acid

Systemtic Name: 4-[3-[(3E)-3-(aminocarbonylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3E)-3-(carbamoylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-pentyl-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3E)-1-amyl-2-keto-3-semicarbazono-indolin-5-yl]thio]propyl]benzoic acid Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)N)/C1=O

InChI

InChI=1S/C24H28N4O4S/c1-2-3-4-13-28-20-12-11-18(15-19(20)21(22(28)29)26-27-24(25)32)33-14-5-6-16-7-9-17(10-8-16)23(30)31/h7-12,15H,2-6,13-14H2,1H3,(H,30,31)(H3,25,27,32)/b26-21+