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

Systemtic Name: methyl 2-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 2-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(butanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 2-[[2-[(3-butyramidophenyl)thio]-2-phenyl-acetyl]amino]benzoic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C26H26N2O4S/c1-3-10-23(29)27-19-13-9-14-20(17-19)33-24(18-11-5-4-6-12-18)25(30)28-22-16-8-7-15-21(22)26(31)32-2/h4-9,11-17,24H,3,10H2,1-2H3,(H,27,29)(H,28,30)