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

Systemtic Name: 4-[2-[(3E)-3-(aminocarbonylhydrazinylidene)-2-oxidanylidene-1-pentyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-3-(carbamoylhydrazono)-2-oxo-1-pentyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-pentyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-pentylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-amyl-2-keto-3-semicarbazono-indolin-5-yl]thio]ethyl]benzoic acid Formula: C23H26N4O4S MolecularWeight: 454.54194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-2-3-4-12-27-19-10-9-17(14-18(19)20(21(27)28)25-26-23(24)31)32-13-11-15-5-7-16(8-6-15)22(29)30/h5-10,14H,2-4,11-13H2,1H3,(H,29,30)(H3,24,26,31)/b25-20+