4-[2-[(3Z)-1-methyl-2-oxidanylidene-3-[(phenylmethyl)carbamoylhydrazinylidene]indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3Z)-1-methyl-2-oxidanylidene-3-[(phenylmethyl)carbamoylhydrazinylidene]indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-3-(benzylcarbamoylhydrazono)-1-methyl-2-oxo-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-1-methyl-2-oxo-3-[[oxo-[(phenylmethyl)amino]methyl]hydrazinylidene]-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-3-(benzylcarbamoylhydrazinylidene)-1-methyl-2-oxoindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-3-(benzylcarbamoylhydrazono)-2-keto-1-methyl-indolin-5-yl]thio]ethyl]benzoic acid Formula: C26H24N4O4S MolecularWeight: 488.55816

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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)NCC4=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)NCC4=CC=CC=C4)/C1=O

InChI

InChI=1S/C26H24N4O4S/c1-30-22-12-11-20(35-14-13-17-7-9-19(10-8-17)25(32)33)15-21(22)23(24(30)31)28-29-26(34)27-16-18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3,(H,32,33)(H2,27,29,34)/b28-23-