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

Systemtic Name: 4-[2-[(3Z)-1-heptyl-2-oxidanylidene-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Openeye Name: 4-[2-[(3Z)-1-heptyl-2-oxo-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]sulfanylethyl]benzoic acid CAS Name: 4-[2-[[(3Z)-1-heptyl-2-oxo-3-[[oxo-(2-thiazolylamino)methyl]hydrazinylidene]-5-indolyl]thio]ethyl]benzoic acid IUPAC Name: 4-[2-[(3Z)-1-heptyl-2-oxo-3-(1,3-thiazol-2-ylcarbamoylhydrazinylidene)indol-5-yl]sulfanylethyl]benzoic acid Traditional Name: 4-[2-[[(3Z)-1-heptyl-2-keto-3-(thiazol-2-ylcarbamoylhydrazono)indolin-5-yl]thio]ethyl]benzoic acid Formula: C28H31N5O4S2 MolecularWeight: 565.70684

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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=CS4)C1=O

Isomeric SMILES

CCCCCCCN1C2=C(C=C(C=C2)SCCC3=CC=C(C=C3)C(=O)O)/C(=N/NC(=O)NC4=NC=CS4)/C1=O

InChI

InChI=1S/C28H31N5O4S2/c1-2-3-4-5-6-15-33-23-12-11-21(38-16-13-19-7-9-20(10-8-19)26(35)36)18-22(23)24(25(33)34)31-32-27(37)30-28-29-14-17-39-28/h7-12,14,17-18H,2-6,13,15-16H2,1H3,(H,35,36)(H2,29,30,32,37)/b31-24-