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

Systemtic Name: butyl 4-[2-[4-(butanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(butanoylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-butyramidophenyl)thio]acetyl]amino]benzoic acid butyl ester Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)CCC

InChI

InChI=1S/C23H28N2O4S/c1-3-5-15-29-23(28)17-7-9-18(10-8-17)25-22(27)16-30-20-13-11-19(12-14-20)24-21(26)6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H,24,26)(H,25,27)