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

Systemtic Name: 4-[2-[(3E)-1-hexyl-2-oxidanylidene-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3E)-1-hexyl-2-oxo-3-(phenylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3E)-3-[[anilino(oxo)methyl]hydrazinylidene]-1-hexyl-2-oxo-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3E)-1-hexyl-2-oxo-3-(phenylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3E)-1-hexyl-2-keto-3-(phenylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C30H32N4O4S MolecularWeight: 544.66448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=CC=CC=C4)C1=O

Isomeric SMILES

CCCCCCN1C2=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/C30H32N4O4S/c1-2-3-4-8-18-34-26-16-15-24(39-19-17-21-11-13-22(14-12-21)29(36)37)20-25(26)27(28(34)35)32-33-30(38)31-23-9-6-5-7-10-23/h5-7,9-16,20H,2-4,8,17-19H2,1H3,(H,36,37)(H2,31,33,38)/b32-27+