4-[2-[(3E)-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3E)-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-3-(1H-imidazol-2-ylcarbamoylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[(1H-imidazol-2-ylamino)-oxomethyl]hydrazinylidene]-2-oxo-1-pentyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-amyl-3-(1H-imidazol-2-ylcarbamoylhydrazono)-2-keto-indolin-5-yl]thio]ethyl]benzoic acid Formula: C26H28N6O4S MolecularWeight: 520.60332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=NC=CN4)C1=O

Isomeric SMILES

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)NC4=NC=CN4)/C1=O

InChI

InChI=1S/C26H28N6O4S/c1-2-3-4-14-32-21-10-9-19(37-15-11-17-5-7-18(8-6-17)24(34)35)16-20(21)22(23(32)33)30-31-26(36)29-25-27-12-13-28-25/h5-10,12-13,16H,2-4,11,14-15H2,1H3,(H,34,35)(H3,27,28,29,31,36)/b30-22+