4-[2-(3-hexyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(3-hexyl-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(3-hexyl-4-oxo-2-phenylimino-thiazolidin-5-yl)acetyl]amino]benzoic acid CAS Name: 4-[[2-(3-hexyl-4-oxo-2-phenylimino-5-thiazolidinyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-(3-hexyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(3-hexyl-4-keto-2-phenylimino-thiazolidin-5-yl)acetyl]amino]benzoic acid Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C24H27N3O4S/c1-2-3-4-8-15-27-22(29)20(32-24(27)26-18-9-6-5-7-10-18)16-21(28)25-19-13-11-17(12-14-19)23(30)31/h5-7,9-14,20H,2-4,8,15-16H2,1H3,(H,25,28)(H,30,31)