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

Systemtic Name: 4-[2-[(3E)-3-(aminocarbonylhydrazinylidene)-2-oxidanylidene-1-propyl-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-3-(carbamoylhydrazono)-2-oxo-1-propyl-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-propyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-3-(carbamoylhydrazinylidene)-2-oxo-1-propylindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-2-keto-1-propyl-3-semicarbazono-indolin-5-yl]thio]ethyl]benzoic acid Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)N)C1=O

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)N)/C1=O

InChI

InChI=1S/C21H22N4O4S/c1-2-10-25-17-8-7-15(12-16(17)18(19(25)26)23-24-21(22)29)30-11-9-13-3-5-14(6-4-13)20(27)28/h3-8,12H,2,9-11H2,1H3,(H,27,28)(H3,22,24,29)/b23-18+