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

Systemtic Name: butyl 4-[2-[4-(cyclohexylcarbonylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: butyl 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[4-(cyclohexanecarbonylamino)phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-(cyclohexanecarbonylamino)phenyl]thio]acetyl]amino]benzoic acid butyl ester Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C26H32N2O4S/c1-2-3-17-32-26(31)20-9-11-21(12-10-20)27-24(29)18-33-23-15-13-22(14-16-23)28-25(30)19-7-5-4-6-8-19/h9-16,19H,2-8,17-18H2,1H3,(H,27,29)(H,28,30)