ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-butyramidophenyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C21H24N2O4S/c1-3-6-19(24)23-17-7-5-8-18(13-17)28-14-20(25)22-16-11-9-15(10-12-16)21(26)27-4-2/h5,7-13H,3-4,6,14H2,1-2H3,(H,22,25)(H,23,24)