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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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