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

Systemtic Name: butyl 4-[[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanyl-2-phenyl-ethanoyl]amino]benzoate Openeye Name: butyl 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxo-2-phenylethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanyl-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]-2-phenyl-acetyl]amino]benzoic acid butyl ester Formula: C32H36N2O4S MolecularWeight: 544.70424

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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=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C32H36N2O4S/c1-2-3-22-38-32(37)25-14-16-26(17-15-25)34-31(36)29(23-10-6-4-7-11-23)39-28-20-18-27(19-21-28)33-30(35)24-12-8-5-9-13-24/h4,6-7,10-11,14-21,24,29H,2-3,5,8-9,12-13,22H2,1H3,(H,33,35)(H,34,36)