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

Systemtic Name: 4-[2-(4-oxidanylidene-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(4-oxo-2-phenylimino-3-propyl-thiazolidin-5-yl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-(4-oxo-2-phenylimino-3-propyl-5-thiazolidinyl)ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-oxo-2-phenylimino-3-propyl-1,3-thiazolidin-5-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(4-keto-2-phenylimino-3-propyl-thiazolidin-5-yl)acetyl]amino]benzoic acid Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCN1C(=O)C(SC1=NC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4S/c1-2-12-24-19(26)17(29-21(24)23-15-6-4-3-5-7-15)13-18(25)22-16-10-8-14(9-11-16)20(27)28/h3-11,17H,2,12-13H2,1H3,(H,22,25)(H,27,28)