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

Systemtic Name: butyl 4-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Openeye Name: butyl 4-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[[4-(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=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O4S/c1-3-4-18-33-27(32)21-10-12-22(13-11-21)28-25(30)19(2)34-24-16-14-23(15-17-24)29-26(31)20-8-6-5-7-9-20/h10-17,19-20H,3-9,18H2,1-2H3,(H,28,30)(H,29,31)