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

Systemtic Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]butyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(pentanoylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(valerylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C26H34N2O4S MolecularWeight: 470.62416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4S/c1-4-7-12-24(29)27-21-10-9-11-22(18-21)33-23(6-3)25(30)28-20-15-13-19(14-16-20)26(31)32-17-8-5-2/h9-11,13-16,18,23H,4-8,12,17H2,1-3H3,(H,27,29)(H,28,30)