4-[2-[(3Z)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxidanylidene-indol-5-yl]sulfanylethyl]benzoic acid

Systemtic Name: 4-[2-[(3Z)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxidanylidene-indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazono)-2-oxo-indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-1-heptyl-3-[[(1H-imidazol-2-ylamino)-oxomethyl]hydrazinylidene]-2-oxo-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazinylidene)-2-oxoindol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-1-heptyl-3-(1H-imidazol-2-ylcarbamoylhydrazono)-2-keto-indolin-5-yl]thio]ethyl]benzoic acid Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)C(=NNC(=O)NC4=NC=CN4)C1=O

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=O)NC4=NC=CN4)/C1=O

InChI

InChI=1S/C28H32N6O4S/c1-2-3-4-5-6-16-34-23-12-11-21(39-17-13-19-7-9-20(10-8-19)26(36)37)18-22(23)24(25(34)35)32-33-28(38)31-27-29-14-15-30-27/h7-12,14-15,18H,2-6,13,16-17H2,1H3,(H,36,37)(H3,29,30,31,33,38)/b32-24-