butyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate

Systemtic Name: butyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-butyramidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=CC(=C3)NC(=O)CCC

InChI

InChI=1S/C29H32N2O4S/c1-3-5-19-35-29(34)22-15-17-23(18-16-22)31-28(33)27(21-11-7-6-8-12-21)36-25-14-9-13-24(20-25)30-26(32)10-4-2/h6-9,11-18,20,27H,3-5,10,19H2,1-2H3,(H,30,32)(H,31,33)