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

Systemtic Name: butyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[3-(1-oxopentylamino)phenyl]thio]-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[3-(pentanoylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-[[3-(valerylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C30H34N2O4S MolecularWeight: 518.66696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCCCC

Isomeric SMILES

CCCCC(=O)NC1=CC(=CC=C1)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)OCCCC

InChI

InChI=1S/C30H34N2O4S/c1-3-5-15-27(33)31-25-13-10-14-26(21-25)37-28(22-11-8-7-9-12-22)29(34)32-24-18-16-23(17-19-24)30(35)36-20-6-4-2/h7-14,16-19,21,28H,3-6,15,20H2,1-2H3,(H,31,33)(H,32,34)