butyl 4-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: butyl 4-[2-[4-(2-phenoxyethanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-[(1-oxo-2-phenoxyethyl)amino]phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-[(2-phenoxyacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C27H28N2O5S MolecularWeight: 492.58662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O5S/c1-2-3-17-33-27(32)20-9-11-21(12-10-20)29-26(31)19-35-24-15-13-22(14-16-24)28-25(30)18-34-23-7-5-4-6-8-23/h4-16H,2-3,17-19H2,1H3,(H,28,30)(H,29,31)