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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-3-5-7-22(27)25-20-12-14-21(15-13-20)31-17-23(28)26-19-10-8-18(9-11-19)24(29)30-16-6-4-2/h8-15H,3-7,16-17H2,1-2H3,(H,25,27)(H,26,28)