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

Systemtic Name: 4-[3-[(3E)-3-(aminocarbonylhydrazinylidene)-2-oxidanylidene-1-propyl-indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3E)-3-(carbamoylhydrazono)-2-oxo-1-propyl-indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-propyl-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-propylindol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3E)-2-keto-1-propyl-3-semicarbazono-indolin-5-yl]thio]propyl]benzoic acid Formula: C22H24N4O4S MolecularWeight: 440.51536

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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)N)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-2-11-26-18-10-9-16(13-17(18)19(20(26)27)24-25-22(23)30)31-12-3-4-14-5-7-15(8-6-14)21(28)29/h5-10,13H,2-4,11-12H2,1H3,(H,28,29)(H3,23,25,30)/b24-19+