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

Systemtic Name: butyl 4-[2-[3-(cyclohexylcarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Openeye Name: butyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate CAS Name: 4-[[2-[[3-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxobutyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[2-[3-(cyclohexanecarbonylamino)phenyl]sulfanylbutanoylamino]benzoate Traditional Name: 4-[2-[[3-(cyclohexanecarbonylamino)phenyl]thio]butanoylamino]benzoic acid butyl ester Formula: C28H36N2O4S MolecularWeight: 496.66144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N2O4S/c1-3-5-18-34-28(33)21-14-16-22(17-15-21)29-27(32)25(4-2)35-24-13-9-12-23(19-24)30-26(31)20-10-7-6-8-11-20/h9,12-17,19-20,25H,3-8,10-11,18H2,1-2H3,(H,29,32)(H,30,31)