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

Systemtic Name: 4-[2-[(3E)-1-methyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-1-methyl-2-oxo-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-1-methyl-2-oxo-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-1-methyl-2-oxo-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-2-keto-1-methyl-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C25H22N4O4S MolecularWeight: 474.53158

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CN1C2=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/C25H22N4O4S/c1-29-21-12-11-19(34-14-13-16-7-9-17(10-8-16)24(31)32)15-20(21)22(23(29)30)27-28-25(33)26-18-5-3-2-4-6-18/h2-12,15H,13-14H2,1H3,(H,31,32)(H2,26,28,33)/b27-22+