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

Systemtic Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-3-5-10-22(27)26-20-8-7-9-21(16-20)31-17-23(28)25-19-13-11-18(12-14-19)24(29)30-15-6-4-2/h7-9,11-14,16H,3-6,10,15,17H2,1-2H3,(H,25,28)(H,26,27)