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

Systemtic Name: ethyl 4-[2-[4-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-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=C(C=C1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-5-19(24)22-17-10-12-18(13-11-17)28-14-20(25)23-16-8-6-15(7-9-16)21(26)27-4-2/h6-13H,3-5,14H2,1-2H3,(H,22,24)(H,23,25)