butyl 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 4-[[2-(4-phenylthiazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(4-phenyl-2-thiazolyl)thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-phenylthiazol-2-yl)thio]acetyl]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)CSC2=NC(=CS2)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CS2)C3=CC=CC=C3

InChI

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