butyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-(thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-[[oxo-[2-(4-thiazolylmethylthio)phenyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-[[2-(thiazol-4-ylmethylthio)benzoyl]amino]benzoic acid butyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C22H22N2O3S2/c1-2-3-12-27-22(26)16-8-10-17(11-9-16)24-21(25)19-6-4-5-7-20(19)29-14-18-13-28-15-23-18/h4-11,13,15H,2-3,12,14H2,1H3,(H,24,25)