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

Systemtic Name: 4-[3-[(3E)-3-(aminocarbonylhydrazinylidene)-1-hexyl-2-oxidanylidene-indol-5-yl]sulfanylpropyl]benzoic acid Openeye Name: 4-[3-[(3E)-3-(carbamoylhydrazono)-1-hexyl-2-oxo-indolin-5-yl]sulfanylpropyl]benzoic acid CAS Name: 4-[3-[[(3E)-3-(carbamoylhydrazinylidene)-1-hexyl-2-oxo-5-indolyl]thio]propyl]benzoic acid IUPAC Name: 4-[3-[(3E)-3-(carbamoylhydrazinylidene)-1-hexyl-2-oxoindol-5-yl]sulfanylpropyl]benzoic acid Traditional Name: 4-[3-[[(3E)-1-hexyl-2-keto-3-semicarbazono-indolin-5-yl]thio]propyl]benzoic acid Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4S/c1-2-3-4-5-14-29-21-13-12-19(16-20(21)22(23(29)30)27-28-25(26)33)34-15-6-7-17-8-10-18(11-9-17)24(31)32/h8-13,16H,2-7,14-15H2,1H3,(H,31,32)(H3,26,28,33)/b27-22+