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

Systemtic Name: 4-[2-[(3Z)-2-oxidanylidene-1-phenethyl-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-2-oxo-1-phenethyl-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-3-[[anilino(oxo)methyl]hydrazinylidene]-2-oxo-1-phenethyl-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-2-oxo-1-phenethyl-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-2-keto-1-phenethyl-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C32H28N4O4S MolecularWeight: 564.65412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)SCCC4=CC=C(C=C4)C(=O)O)C(=NNC(=O)NC5=CC=CC=C5)C2=O

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)SCCC4=CC=C(C=C4)C(=O)O)/C(=N/NC(=O)NC5=CC=CC=C5)/C2=O

InChI

InChI=1S/C32H28N4O4S/c37-30-29(34-35-32(40)33-25-9-5-2-6-10-25)27-21-26(41-20-18-23-11-13-24(14-12-23)31(38)39)15-16-28(27)36(30)19-17-22-7-3-1-4-8-22/h1-16,21H,17-20H2,(H,38,39)(H2,33,35,40)/b34-29-