butyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate

Systemtic Name: butyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]propanoylamino]benzoic acid butyl ester Formula: C27H34N2O4S MolecularWeight: 482.63486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=CC=CC(=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C27H34N2O4S/c1-3-4-17-33-27(32)21-13-15-22(16-14-21)28-25(30)19(2)34-24-12-8-11-23(18-24)29-26(31)20-9-6-5-7-10-20/h8,11-16,18-20H,3-7,9-10,17H2,1-2H3,(H,28,30)(H,29,31)