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

Systemtic Name: butyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxopentylamino)phenyl]thio]propyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-(pentanoylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(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=C(C=C1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O4S/c1-4-6-8-23(28)26-20-13-15-22(16-14-20)32-18(3)24(29)27-21-11-9-19(10-12-21)25(30)31-17-7-5-2/h9-16,18H,4-8,17H2,1-3H3,(H,26,28)(H,27,29)