4-[[2-(butanoylamino)-1,3-thiazol-4-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[2-(butanoylamino)-1,3-thiazol-4-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(butanoylamino)thiazole-4-carbonyl]amino]benzoic acid CAS Name: 4-[[oxo-[2-(1-oxobutylamino)-4-thiazolyl]methyl]amino]benzoic acid IUPAC Name: 4-[[2-(butanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoic acid Traditional Name: 4-[(2-butyramidothiazole-4-carbonyl)amino]benzoic acid Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC(=CS1)C(=O)NC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=NC(=CS1)C(=O)NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15N3O4S/c1-2-3-12(19)18-15-17-11(8-23-15)13(20)16-10-6-4-9(5-7-10)14(21)22/h4-8H,2-3H2,1H3,(H,16,20)(H,21,22)(H,17,18,19)