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

Systemtic Name: 4-[2-[(3E)-1-butyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-1-butyl-2-oxo-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-1-butyl-2-oxo-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-1-butyl-2-oxo-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-butyl-2-keto-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N\NC(=O)NC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C28H28N4O4S/c1-2-3-16-32-24-14-13-22(37-17-15-19-9-11-20(12-10-19)27(34)35)18-23(24)25(26(32)33)30-31-28(36)29-21-7-5-4-6-8-21/h4-14,18H,2-3,15-17H2,1H3,(H,34,35)(H2,29,31,36)/b30-25+