butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(valerylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C25H32N2O4S MolecularWeight: 456.59758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

InChI

InChI=1S/C25H32N2O4S/c1-4-6-11-23(28)26-21-9-8-10-22(17-21)32-18(3)24(29)27-20-14-12-19(13-15-20)25(30)31-16-7-5-2/h8-10,12-15,17-18H,4-7,11,16H2,1-3H3,(H,26,28)(H,27,29)