ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-butyramidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid ethyl ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C27H28N2O4S/c1-3-9-24(30)28-22-12-8-13-23(18-22)34-25(19-10-6-5-7-11-19)26(31)29-21-16-14-20(15-17-21)27(32)33-4-2/h5-8,10-18,25H,3-4,9H2,1-2H3,(H,28,30)(H,29,31)